2-[(4-aminocyclohexyl)-methylamino]-6-chlorobenzamide

C14H20ClN3O — CID 79115109

IUPAC2-[(4-aminocyclohexyl)-methylamino]-6-chlorobenzamide
SMILESCN(c1cccc(Cl)c1C(N)=O)C1CCC(N)CC1
InChIInChI=1S/C14H20ClN3O/c1-18(10-7-5-9(16)6-8-10)12-4-2-3-11(15)13(12)14(17)19/h2-4,9-10H,5-8,16H2,1H3,(H2,17,19)
InChIKeyFFGRFXWDYZFUQE-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.14
Rot. Bonds3

About 2-[(4-aminocyclohexyl)-methylamino]-6-chlorobenzamide

2-[(4-aminocyclohexyl)-methylamino]-6-chlorobenzamide (PubChem CID 79115109) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-methylamino]-6-chlorobenzamide.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-methylamino]-6-chlorobenzamide
PubChem CID79115109
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-[(4-aminocyclohexyl)-methylamino]-6-chlorobenzamide
SMILESCN(c1cccc(Cl)c1C(N)=O)C1CCC(N)CC1
InChIInChI=1S/C14H20ClN3O/c1-18(10-7-5-9(16)6-8-10)12-4-2-3-11(15)13(12)14(17)19/h2-4,9-10H,5-8,16H2,1H3,(H2,17,19)
InChIKeyFFGRFXWDYZFUQE-UHFFFAOYSA-N
XLogP2.14
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid
CID 43267297
2-chloro-6-[(4-ethylcyclohexyl)-methylamino]benzenecarbothioamide
CID 62496502
2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid
CID 43614200
2-chloro-N'-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 76945394
2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid
CID 61446336
2-chloro-6-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide
CID 79703789
2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzenecarbothioamide
CID 55079558
4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide
CID 82808751
2,6-dichlorobenzamide;hydrochloride
CID 172775002
3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline
CID 104838791
2,3-dichloro-N-cyclopentyl-N-methylaniline
CID 66960790
2,6-dichloro-N-cyclopropyl-N-methylaniline
CID 54252168

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-6-chlorobenzamide?
The IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-6-chlorobenzamide (CID 79115109) is 2-[(4-aminocyclohexyl)-methylamino]-6-chlorobenzamide.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-methylamino]-6-chlorobenzamide?
The canonical SMILES for 2-[(4-aminocyclohexyl)-methylamino]-6-chlorobenzamide is CN(c1cccc(Cl)c1C(N)=O)C1CCC(N)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)-methylamino]-6-chlorobenzamide?
The InChIKey is FFGRFXWDYZFUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-18(10-7-5-9(16)6-8-10)12-4-2-3-11(15)13(12)14(17)19/h2-4,9-10H,5-8,16H2,1H3,(H2,17,19).
What are the key properties of 2-[(4-aminocyclohexyl)-methylamino]-6-chlorobenzamide?
2-[(4-aminocyclohexyl)-methylamino]-6-chlorobenzamide has a molecular weight of 281.79 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-methylamino]-6-chlorobenzamide is sourced from PubChem (CID 79115109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).