4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide

C17H25ClN2O — CID 65080368

IUPAC4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide
SMILESCC1CCCC(Nc2cc(Cl)ccc2C(=O)N(C)C)CC1
InChIInChI=1S/C17H25ClN2O/c1-12-5-4-6-14(9-7-12)19-16-11-13(18)8-10-15(16)17(21)20(2)3/h8,10-12,14,19H,4-7,9H2,1-3H3
InChIKeyAADZTMFDRXBUBD-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.42
Rot. Bonds3

About 4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide

4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide (PubChem CID 65080368) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide
PubChem CID65080368
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide
SMILESCC1CCCC(Nc2cc(Cl)ccc2C(=O)N(C)C)CC1
InChIInChI=1S/C17H25ClN2O/c1-12-5-4-6-14(9-7-12)19-16-11-13(18)8-10-15(16)17(21)20(2)3/h8,10-12,14,19H,4-7,9H2,1-3H3
InChIKeyAADZTMFDRXBUBD-UHFFFAOYSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide
CID 43737618
4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide
CID 43737654
2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 79730315
4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid
CID 63510691
4-chloro-2-[(2,5-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
CID 64763247
N-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine
CID 107631855
4-chloro-N,N-dimethyl-2-[(2-methyloxolan-3-yl)amino]benzamide
CID 82727164
5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline
CID 43438410
4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide
CID 43737639
N-(4-chloro-2-nitrophenyl)-4-methylcycloheptan-1-amine
CID 65081347
2-chloro-4-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101995
4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide
CID 43738737

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide (CID 65080368) is 4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide is CC1CCCC(Nc2cc(Cl)ccc2C(=O)N(C)C)CC1.
What is the InChIKey of 4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide?
The InChIKey is AADZTMFDRXBUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-12-5-4-6-14(9-7-12)19-16-11-13(18)8-10-15(16)17(21)20(2)3/h8,10-12,14,19H,4-7,9H2,1-3H3.
What are the key properties of 4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide?
4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide has a molecular weight of 308.85 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide is sourced from PubChem (CID 65080368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).