4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide

C15H21ClN2O — CID 43737654

IUPAC4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NC1CCCCC1
InChIInChI=1S/C15H21ClN2O/c1-18(2)15(19)13-9-8-11(16)10-14(13)17-12-6-4-3-5-7-12/h8-10,12,17H,3-7H2,1-2H3
InChIKeyZPMJHFQJGPBPRU-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.79
Rot. Bonds3

About 4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide

4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide (PubChem CID 43737654) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide
PubChem CID43737654
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NC1CCCCC1
InChIInChI=1S/C15H21ClN2O/c1-18(2)15(19)13-9-8-11(16)10-14(13)17-12-6-4-3-5-7-12/h8-10,12,17H,3-7H2,1-2H3
InChIKeyZPMJHFQJGPBPRU-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide
CID 65080368
4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide
CID 43737618
2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 79730315
4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide
CID 43737639
4-chloro-N,N-dimethyl-2-[(2-methyloxolan-3-yl)amino]benzamide
CID 82727164
4-chloro-2-[(2,5-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
CID 64763247
4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741067
4-chloro-2-N-cyclooctylbenzene-1,2-diamine
CID 115468486
4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid
CID 63510691
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
4-chloro-N-cyclohexyl-2-iodoaniline
CID 107631445
methyl 2-[(3-aminocyclohexyl)amino]-4-chlorobenzoate
CID 79459028

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide (CID 43737654) is 4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)cc1NC1CCCCC1.
What is the InChIKey of 4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide?
The InChIKey is ZPMJHFQJGPBPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-18(2)15(19)13-9-8-11(16)10-14(13)17-12-6-4-3-5-7-12/h8-10,12,17H,3-7H2,1-2H3.
What are the key properties of 4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide?
4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide has a molecular weight of 280.80 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide is sourced from PubChem (CID 43737654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).