N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4,4-difluoropiperidine-1-carboxamide

C15H18ClF2N3O2 — CID 118766001

IUPACN-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4,4-difluoropiperidine-1-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)N2CCC(F)(F)CC2)cc1Cl
InChIInChI=1S/C15H18ClF2N3O2/c1-20(2)13(22)11-4-3-10(9-12(11)16)19-14(23)21-7-5-15(17,18)6-8-21/h3-4,9H,5-8H2,1-2H3,(H,19,23)
InChIKeyUIBFXSRMILQHNU-UHFFFAOYSA-N
MW345.78 g/mol
LogP3.30
Rot. Bonds2

About N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4,4-difluoropiperidine-1-carboxamide

N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4,4-difluoropiperidine-1-carboxamide (PubChem CID 118766001) has the molecular formula C15H18ClF2N3O2 and a molecular weight of 345.78 g/mol. Its IUPAC name is N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4,4-difluoropiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4,4-difluoropiperidine-1-carboxamide
PubChem CID118766001
Molecular FormulaC15H18ClF2N3O2
Molecular Weight345.78 g/mol
Exact Mass345.11
IUPAC NameN-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4,4-difluoropiperidine-1-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)N2CCC(F)(F)CC2)cc1Cl
InChIInChI=1S/C15H18ClF2N3O2/c1-20(2)13(22)11-4-3-10(9-12(11)16)19-14(23)21-7-5-15(17,18)6-8-21/h3-4,9H,5-8H2,1-2H3,(H,19,23)
InChIKeyUIBFXSRMILQHNU-UHFFFAOYSA-N
XLogP3.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4,4-difluoropiperidine-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-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide
CID 171854817
N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 80703460
2-chloro-N,N-dimethyl-4-[[(3S)-3-pyrrol-1-ylbutanoyl]amino]benzamide
CID 97214312
1-[(4-chloro-3-fluorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124130
N-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
CID 103993100
N-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide
CID 118768211
(1R,2S,3S,4R)-3-[[3-chloro-4-(dimethylcarbamoyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98472800
3-[[3-chloro-4-(dimethylcarbamoyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 47704296
N-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide
CID 72862845
propan-2-yl 4-chloro-3-[(4,4-difluoropiperidine-1-carbonyl)amino]benzoate
CID 118786429
N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide
CID 118785738
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119747432

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4,4-difluoropiperidine-1-carboxamide?
The IUPAC name of N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4,4-difluoropiperidine-1-carboxamide (CID 118766001) is N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4,4-difluoropiperidine-1-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4,4-difluoropiperidine-1-carboxamide?
The canonical SMILES for N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4,4-difluoropiperidine-1-carboxamide is CN(C)C(=O)c1ccc(NC(=O)N2CCC(F)(F)CC2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4,4-difluoropiperidine-1-carboxamide?
The InChIKey is UIBFXSRMILQHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF2N3O2/c1-20(2)13(22)11-4-3-10(9-12(11)16)19-14(23)21-7-5-15(17,18)6-8-21/h3-4,9H,5-8H2,1-2H3,(H,19,23).
What are the key properties of N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4,4-difluoropiperidine-1-carboxamide?
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4,4-difluoropiperidine-1-carboxamide has a molecular weight of 345.78 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4,4-difluoropiperidine-1-carboxamide is sourced from PubChem (CID 118766001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).