2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide

C17H25ClN2O — CID 65083154

IUPAC2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NC2CCCC(C)(C)CC2)ccc1Cl
InChIInChI=1S/C17H25ClN2O/c1-17(2)9-4-5-12(8-10-17)20-13-6-7-15(18)14(11-13)16(21)19-3/h6-7,11-12,20H,4-5,8-10H2,1-3H3,(H,19,21)
InChIKeyXWLOHYVTVSYNGV-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.47
Rot. Bonds3

About 2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide

2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide (PubChem CID 65083154) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide
PubChem CID65083154
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NC2CCCC(C)(C)CC2)ccc1Cl
InChIInChI=1S/C17H25ClN2O/c1-17(2)9-4-5-12(8-10-17)20-13-6-7-15(18)14(11-13)16(21)19-3/h6-7,11-12,20H,4-5,8-10H2,1-3H3,(H,19,21)
InChIKeyXWLOHYVTVSYNGV-UHFFFAOYSA-N
XLogP4.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-methyl-5-[(4-methylcycloheptyl)amino]benzamide
CID 65079977
5-[(4,4-dimethylcycloheptyl)amino]-2-fluorobenzoic acid
CID 65084402
3-[(4,4-dimethylcycloheptyl)amino]-N,2-dimethylbenzamide
CID 65083034
2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide
CID 112633806
methyl 2-chloro-5-(cyclopentylamino)benzoate
CID 43672677
4-[(4,4-dimethylcycloheptyl)amino]benzoic acid
CID 65083920
2-chloro-5-(spiro[4.5]decan-8-ylamino)benzoic acid
CID 114817395
2-chloro-5-(cyclohexylamino)benzoic acid
CID 43736277
N-(3-chloro-4-ethoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083347
N-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide
CID 65083100
1-[2-amino-5-[(3,3-dimethylcyclohexyl)amino]phenyl]ethanone
CID 104613034
2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide
CID 54864640

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide (CID 65083154) is 2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide is CNC(=O)c1cc(NC2CCCC(C)(C)CC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide?
The InChIKey is XWLOHYVTVSYNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-17(2)9-4-5-12(8-10-17)20-13-6-7-15(18)14(11-13)16(21)19-3/h6-7,11-12,20H,4-5,8-10H2,1-3H3,(H,19,21).
What are the key properties of 2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide?
2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide has a molecular weight of 308.85 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide is sourced from PubChem (CID 65083154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).