N-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide

C27H28FN3O2 — CID 23960191

IUPACN-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide
SMILESNC1CCCCC1N(Cc1ccccc1NC(=O)c1cccc(F)c1)C(=O)c1ccccc1
InChIInChI=1S/C27H28FN3O2/c28-22-13-8-12-20(17-22)26(32)30-24-15-6-4-11-21(24)18-31(25-16-7-5-14-23(25)29)27(33)19-9-2-1-3-10-19/h1-4,6,8-13,15,17,23,25H,5,7,14,16,18,29H2,(H,30,32)
InChIKeyLNGKKAXXKYTBQJ-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.99
Rot. Bonds6

About N-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide

N-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide (PubChem CID 23960191) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide
PubChem CID23960191
Molecular FormulaC27H28FN3O2
Molecular Weight445.54 g/mol
Exact Mass445.22
IUPAC NameN-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide
SMILESNC1CCCCC1N(Cc1ccccc1NC(=O)c1cccc(F)c1)C(=O)c1ccccc1
InChIInChI=1S/C27H28FN3O2/c28-22-13-8-12-20(17-22)26(32)30-24-15-6-4-11-21(24)18-31(25-16-7-5-14-23(25)29)27(33)19-9-2-1-3-10-19/h1-4,6,8-13,15,17,23,25H,5,7,14,16,18,29H2,(H,30,32)
InChIKeyLNGKKAXXKYTBQJ-UHFFFAOYSA-N
XLogP4.99
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide 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-(2-aminocyclohexyl)-N-[(4-benzamidophenyl)methyl]-3-fluorobenzamide
CID 23904820
N-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
CID 23855461
N-[4-[[(2-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 23796763
N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 23824862
N-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide
CID 23797083
N-(2-aminocyclohexyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
CID 23934541
N-[2-[[[3-(aminomethyl)phenyl]methyl-(3-fluorobenzoyl)amino]methyl]phenyl]-3-fluorobenzamide
CID 23962180
N-[2-[2-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]-2-oxoethyl]phenyl]-3-fluorobenzamide
CID 23934073
2-amino-4-[cyclopropylmethyl-[[2-[(3-fluorobenzoyl)amino]phenyl]methyl]amino]butanoic acid
CID 175601231
N-[3-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide
CID 23820528
N-[4-[[(2-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 23987825
N-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-methoxybenzamide
CID 23992132

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide (CID 23960191) is N-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide is NC1CCCCC1N(Cc1ccccc1NC(=O)c1cccc(F)c1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide?
The InChIKey is LNGKKAXXKYTBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O2/c28-22-13-8-12-20(17-22)26(32)30-24-15-6-4-11-21(24)18-31(25-16-7-5-14-23(25)29)27(33)19-9-2-1-3-10-19/h1-4,6,8-13,15,17,23,25H,5,7,14,16,18,29H2,(H,30,32).
What are the key properties of N-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide?
N-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide has a molecular weight of 445.54 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide is sourced from PubChem (CID 23960191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).