5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride

C15H21Cl2N3O2 — CID 119738470

IUPAC5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1cc(NC(=O)C2CCCC(N)C2)ccc1Cl.Cl
InChIInChI=1S/C15H20ClN3O2.ClH/c1-18-15(21)12-8-11(5-6-13(12)16)19-14(20)9-3-2-4-10(17)7-9;/h5-6,8-10H,2-4,7,17H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyNNJFBXPHJBFLIH-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.58
Rot. Bonds3

About 5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride

5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride (PubChem CID 119738470) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is 5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride
PubChem CID119738470
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC Name5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1cc(NC(=O)C2CCCC(N)C2)ccc1Cl.Cl
InChIInChI=1S/C15H20ClN3O2.ClH/c1-18-15(21)12-8-11(5-6-13(12)16)19-14(20)9-3-2-4-10(17)7-9;/h5-6,8-10H,2-4,7,17H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyNNJFBXPHJBFLIH-UHFFFAOYSA-N
XLogP2.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
CID 119707616
3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119790110
N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 60926898
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide
CID 119739551
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705338
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119713029
3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673929
3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 63043789
3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide
CID 63042324
4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride
CID 119711657

Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride?
The IUPAC name of 5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride (CID 119738470) is 5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride?
The canonical SMILES for 5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride is CNC(=O)c1cc(NC(=O)C2CCCC(N)C2)ccc1Cl.Cl.
What is the InChIKey of 5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride?
The InChIKey is NNJFBXPHJBFLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2.ClH/c1-18-15(21)12-8-11(5-6-13(12)16)19-14(20)9-3-2-4-10(17)7-9;/h5-6,8-10H,2-4,7,17H2,1H3,(H,18,21)(H,19,20);1H.
What are the key properties of 5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride?
5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride has a molecular weight of 346.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119738470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).