N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,5-difluorobenzamide

C24H27F2N3O2 — CID 23823004

IUPACN-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,5-difluorobenzamide
SMILESNC1CCCCC1N(Cc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1)C(=O)C1CC1
InChIInChI=1S/C24H27F2N3O2/c25-18-11-17(12-19(26)13-18)23(30)28-20-9-5-15(6-10-20)14-29(24(31)16-7-8-16)22-4-2-1-3-21(22)27/h5-6,9-13,16,21-22H,1-4,7-8,14,27H2,(H,28,30)
InChIKeyBJKFUQQOJTXFQD-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.23
Rot. Bonds6

About N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,5-difluorobenzamide

N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,5-difluorobenzamide (PubChem CID 23823004) has the molecular formula C24H27F2N3O2 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,5-difluorobenzamide
PubChem CID23823004
Molecular FormulaC24H27F2N3O2
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC NameN-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,5-difluorobenzamide
SMILESNC1CCCCC1N(Cc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1)C(=O)C1CC1
InChIInChI=1S/C24H27F2N3O2/c25-18-11-17(12-19(26)13-18)23(30)28-20-9-5-15(6-10-20)14-29(24(31)16-7-8-16)22-4-2-1-3-21(22)27/h5-6,9-13,16,21-22H,1-4,7-8,14,27H2,(H,28,30)
InChIKeyBJKFUQQOJTXFQD-UHFFFAOYSA-N
XLogP4.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,5-difluorobenzamide
CID 23912042
N-[4-[[(2-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 23987825
N-(2-aminocyclohexyl)-N-[(4-benzamidophenyl)methyl]-3-fluorobenzamide
CID 23904820
N-[4-[[(2-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 23796763
N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide
CID 23907684
N-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide
CID 23790905
N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide
CID 23739109
N-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
CID 23855461
N-(2-aminocyclohexyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
CID 23934541
N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide
CID 23738640
[(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid
CID 91447786
N-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide
CID 23797083

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,5-difluorobenzamide?
The IUPAC name of N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,5-difluorobenzamide (CID 23823004) is N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,5-difluorobenzamide is NC1CCCCC1N(Cc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1)C(=O)C1CC1.
What is the InChIKey of N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,5-difluorobenzamide?
The InChIKey is BJKFUQQOJTXFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O2/c25-18-11-17(12-19(26)13-18)23(30)28-20-9-5-15(6-10-20)14-29(24(31)16-7-8-16)22-4-2-1-3-21(22)27/h5-6,9-13,16,21-22H,1-4,7-8,14,27H2,(H,28,30).
What are the key properties of N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,5-difluorobenzamide?
N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,5-difluorobenzamide has a molecular weight of 427.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,5-difluorobenzamide is sourced from PubChem (CID 23823004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).