N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide

C14H18F2N2O — CID 64928823

IUPACN-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide
SMILESNC1CCCCC1CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O/c15-11-6-5-9(7-12(11)16)14(19)18-8-10-3-1-2-4-13(10)17/h5-7,10,13H,1-4,8,17H2,(H,18,19)
InChIKeyNXTVKJXDHOACLK-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.21
Rot. Bonds3

About N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide

N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide (PubChem CID 64928823) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide
PubChem CID64928823
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide
SMILESNC1CCCCC1CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O/c15-11-6-5-9(7-12(11)16)14(19)18-8-10-3-1-2-4-13(10)17/h5-7,10,13H,1-4,8,17H2,(H,18,19)
InChIKeyNXTVKJXDHOACLK-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
CID 79756556
N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
CID 64929794
3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 113244888
N-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 64928415
N-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide
CID 115737021
3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64910898
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279934
4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide
CID 113275433
N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide
CID 106133221
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457
3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide
CID 43437026

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide?
The IUPAC name of N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide (CID 64928823) is N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide is NC1CCCCC1CNC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide?
The InChIKey is NXTVKJXDHOACLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-11-6-5-9(7-12(11)16)14(19)18-8-10-3-1-2-4-13(10)17/h5-7,10,13H,1-4,8,17H2,(H,18,19).
What are the key properties of N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide?
N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide has a molecular weight of 268.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide is sourced from PubChem (CID 64928823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).