3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzamide

C15H20ClN3O2 — CID 79511251

IUPAC3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzamide
SMILESNCC1CCC(C(=O)Nc2cc(C(N)=O)ccc2Cl)CC1
InChIInChI=1S/C15H20ClN3O2/c16-12-6-5-11(14(18)20)7-13(12)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)
InChIKeyNDUXVTONAKELJB-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.14
Rot. Bonds4

About 3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzamide

3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzamide (PubChem CID 79511251) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzamide.

Molecular Properties

Compound Name3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzamide
PubChem CID79511251
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzamide
SMILESNCC1CCC(C(=O)Nc2cc(C(N)=O)ccc2Cl)CC1
InChIInChI=1S/C15H20ClN3O2/c16-12-6-5-11(14(18)20)7-13(12)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)
InChIKeyNDUXVTONAKELJB-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

N-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 78954339
4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide
CID 79510866
3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
CID 60849041
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzoic acid
CID 79511933
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide
CID 79322473
N-(5-carbamoyl-2-chlorophenyl)piperidine-2-carboxamide
CID 43701566
N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
CID 70795609
N-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide
CID 64563989
3-(carbamothioylamino)-4-chlorobenzamide
CID 86665570
4-chloro-3-(cyclohexylmethylamino)benzamide
CID 43679468
3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide
CID 102851094
4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 79527030

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzamide?
The IUPAC name of 3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzamide (CID 79511251) is 3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzamide.
What is the SMILES notation for 3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzamide?
The canonical SMILES for 3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzamide is NCC1CCC(C(=O)Nc2cc(C(N)=O)ccc2Cl)CC1.
What is the InChIKey of 3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzamide?
The InChIKey is NDUXVTONAKELJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-12-6-5-11(14(18)20)7-13(12)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 3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzamide?
3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-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 3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzamide is sourced from PubChem (CID 79511251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).