N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methylphenyl)piperidine-1-carboxamide

C24H26F3N3O3 — CID 159569204

IUPACN-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(N(Cc2ccc(C(=O)CNC(=O)C(F)F)cc2F)C(=O)N2CCCCC2)c1
InChIInChI=1S/C24H26F3N3O3/c1-16-6-5-7-19(12-16)30(24(33)29-10-3-2-4-11-29)15-18-9-8-17(13-20(18)25)21(31)14-28-23(32)22(26)27/h5-9,12-13,22H,2-4,10-11,14-15H2,1H3,(H,28,32)
InChIKeyCFKZKWGTWJOVPR-UHFFFAOYSA-N
MW461.48 g/mol
LogP4.31
Rot. Bonds7

About N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methylphenyl)piperidine-1-carboxamide

N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 159569204) has the molecular formula C24H26F3N3O3 and a molecular weight of 461.48 g/mol. Its IUPAC name is N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID159569204
Molecular FormulaC24H26F3N3O3
Molecular Weight461.48 g/mol
Exact Mass461.19
IUPAC NameN-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(N(Cc2ccc(C(=O)CNC(=O)C(F)F)cc2F)C(=O)N2CCCCC2)c1
InChIInChI=1S/C24H26F3N3O3/c1-16-6-5-7-19(12-16)30(24(33)29-10-3-2-4-11-29)15-18-9-8-17(13-20(18)25)21(31)14-28-23(32)22(26)27/h5-9,12-13,22H,2-4,10-11,14-15H2,1H3,(H,28,32)
InChIKeyCFKZKWGTWJOVPR-UHFFFAOYSA-N
XLogP4.31
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methylphenyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-methyl-N-phenyl-1,4-diazepane-1-carboxamide
CID 158447662
N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 157138478
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide
CID 158373017
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide
CID 159840087
N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 158288790
N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 158318329
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-methylphenyl)-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide
CID 159197172
N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-ethyl-N-(4-fluorophenyl)piperazine-1-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-ethyl-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 159504372
N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(4-fluorophenyl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(4-fluorophenyl)morpholine-4-carboxamide
CID 159497064
N-(4-chlorophenyl)-N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]morpholine-4-carboxamide;N-(4-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]morpholine-4-carboxamide
CID 160669247
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]-2-fluorophenyl]methyl]-N-phenylthiomorpholine-4-carboxamide
CID 151893523
N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]phenyl]methyl]-4-ethyl-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 157495310

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methylphenyl)piperidine-1-carboxamide (CID 159569204) is N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methylphenyl)piperidine-1-carboxamide is Cc1cccc(N(Cc2ccc(C(=O)CNC(=O)C(F)F)cc2F)C(=O)N2CCCCC2)c1.
What is the InChIKey of N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is CFKZKWGTWJOVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O3/c1-16-6-5-7-19(12-16)30(24(33)29-10-3-2-4-11-29)15-18-9-8-17(13-20(18)25)21(31)14-28-23(32)22(26)27/h5-9,12-13,22H,2-4,10-11,14-15H2,1H3,(H,28,32).
What are the key properties of N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methylphenyl)piperidine-1-carboxamide?
N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 461.48 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 159569204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).