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

C16H23ClN2O — CID 43737639

IUPAC4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NCC1CCCCC1
InChIInChI=1S/C16H23ClN2O/c1-19(2)16(20)14-9-8-13(17)10-15(14)18-11-12-6-4-3-5-7-12/h8-10,12,18H,3-7,11H2,1-2H3
InChIKeyWRRFYTHTBJIRAL-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.03
Rot. Bonds4

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

4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide (PubChem CID 43737639) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide
PubChem CID43737639
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NCC1CCCCC1
InChIInChI=1S/C16H23ClN2O/c1-19(2)16(20)14-9-8-13(17)10-15(14)18-11-12-6-4-3-5-7-12/h8-10,12,18H,3-7,11H2,1-2H3
InChIKeyWRRFYTHTBJIRAL-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-2-(cyclohexylamino)-N,N-dimethylbenzamide
CID 43737654
4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide
CID 55234275
2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 79730315
5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline
CID 43079026
4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide
CID 43737618
4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 116501092
5-chloro-N-(cyclohexylmethyl)-2-(ethylamino)benzamide
CID 63500418
4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43737609
4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide
CID 65080368
2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 43737640
4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 55898568
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide (CID 43737639) is 4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)cc1NCC1CCCCC1.
What is the InChIKey of 4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide?
The InChIKey is WRRFYTHTBJIRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-19(2)16(20)14-9-8-13(17)10-15(14)18-11-12-6-4-3-5-7-12/h8-10,12,18H,3-7,11H2,1-2H3.
What are the key properties of 4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide?
4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide has a molecular weight of 294.83 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide is sourced from PubChem (CID 43737639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).