4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide

C15H20ClN3O2 — CID 79510866

IUPAC4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide
SMILESNCC1CCC(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1
InChIInChI=1S/C15H20ClN3O2/c16-13-7-11(5-6-12(13)14(18)20)19-15(21)10-3-1-9(8-17)2-4-10/h5-7,9-10H,1-4,8,17H2,(H2,18,20)(H,19,21)
InChIKeyFYSXNGWNZWBRFB-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.14
Rot. Bonds4

About 4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide

4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide (PubChem CID 79510866) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide.

Molecular Properties

Compound Name4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide
PubChem CID79510866
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide
SMILESNCC1CCC(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1
InChIInChI=1S/C15H20ClN3O2/c16-13-7-11(5-6-12(13)14(18)20)19-15(21)10-3-1-9(8-17)2-4-10/h5-7,9-10H,1-4,8,17H2,(H2,18,20)(H,19,21)
InChIKeyFYSXNGWNZWBRFB-UHFFFAOYSA-N
XLogP2.14
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride
CID 119711657
(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
CID 81124281
3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzamide
CID 79511251
1-(benzenesulfonyl)-N-(4-carbamoyl-3-chlorophenyl)piperidine-4-carboxamide
CID 39170705
2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 95311713
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzoic acid
CID 79511933
(2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide
CID 103808831
4-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide
CID 79526732
2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide
CID 61030452
4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide
CID 104963718
N-(4-carbamoyl-3-chlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891367
N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428317

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide?
The IUPAC name of 4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide (CID 79510866) is 4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide.
What is the SMILES notation for 4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide?
The canonical SMILES for 4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide is NCC1CCC(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1.
What is the InChIKey of 4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide?
The InChIKey is FYSXNGWNZWBRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-13-7-11(5-6-12(13)14(18)20)19-15(21)10-3-1-9(8-17)2-4-10/h5-7,9-10H,1-4,8,17H2,(H2,18,20)(H,19,21).
What are the key properties of 4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide?
4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide has a molecular weight of 309.80 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide is sourced from PubChem (CID 79510866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).