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

C16H23ClN2O — CID 43737618

IUPAC4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide
SMILESCC1CCC(Nc2cc(Cl)ccc2C(=O)N(C)C)CC1
InChIInChI=1S/C16H23ClN2O/c1-11-4-7-13(8-5-11)18-15-10-12(17)6-9-14(15)16(20)19(2)3/h6,9-11,13,18H,4-5,7-8H2,1-3H3
InChIKeyPYSHSZCEENZBBC-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.03
Rot. Bonds3

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

4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide (PubChem CID 43737618) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide
PubChem CID43737618
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide
SMILESCC1CCC(Nc2cc(Cl)ccc2C(=O)N(C)C)CC1
InChIInChI=1S/C16H23ClN2O/c1-11-4-7-13(8-5-11)18-15-10-12(17)6-9-14(15)16(20)19(2)3/h6,9-11,13,18H,4-5,7-8H2,1-3H3
InChIKeyPYSHSZCEENZBBC-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.03
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
2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 79730315
4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide
CID 43737654
4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid
CID 63510691
4-chloro-2-[(2,5-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
CID 64763247
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
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid
CID 63082756
N-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine
CID 107631855
4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide
CID 43737653

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide (CID 43737618) is 4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide is CC1CCC(Nc2cc(Cl)ccc2C(=O)N(C)C)CC1.
What is the InChIKey of 4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide?
The InChIKey is PYSHSZCEENZBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11-4-7-13(8-5-11)18-15-10-12(17)6-9-14(15)16(20)19(2)3/h6,9-11,13,18H,4-5,7-8H2,1-3H3.
What are the key properties of 4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide?
4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide has a molecular weight of 294.83 g/mol, XLogP of 4.03, 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-methylcyclohexyl)amino]benzamide is sourced from PubChem (CID 43737618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).