4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide

C16H23ClN2O — CID 43738737

IUPAC4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide
SMILESCC1CCCC(Nc2cc(C(=O)N(C)C)ccc2Cl)C1
InChIInChI=1S/C16H23ClN2O/c1-11-5-4-6-13(9-11)18-15-10-12(7-8-14(15)17)16(20)19(2)3/h7-8,10-11,13,18H,4-6,9H2,1-3H3
InChIKeyRTWVFSFRYUIWDN-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.03
Rot. Bonds3

About 4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide

4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide (PubChem CID 43738737) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide
PubChem CID43738737
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide
SMILESCC1CCCC(Nc2cc(C(=O)N(C)C)ccc2Cl)C1
InChIInChI=1S/C16H23ClN2O/c1-11-5-4-6-13(9-11)18-15-10-12(7-8-14(15)17)16(20)19(2)3/h7-8,10-11,13,18H,4-6,9H2,1-3H3
InChIKeyRTWVFSFRYUIWDN-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-3-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylbenzamide
CID 63162774
2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline
CID 107527568
2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline
CID 55193326
4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
CID 64740893
methyl 4-amino-3-[(3-methylcyclohexyl)amino]benzoate
CID 82785054
4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide
CID 65080368
2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline
CID 43697984
2-chloro-4-iodo-N-(3-methylcyclohexyl)aniline
CID 43733640
3-(2-chloro-5-fluoroanilino)cyclohexane-1-carboxylic acid
CID 107527659
4-chloro-N,N-dimethyl-3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]benzamide
CID 95155298
4-chloro-3-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 43071932
3-(azepan-4-ylamino)-N,N,4-trimethylbenzamide
CID 103981185

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide (CID 43738737) is 4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide is CC1CCCC(Nc2cc(C(=O)N(C)C)ccc2Cl)C1.
What is the InChIKey of 4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide?
The InChIKey is RTWVFSFRYUIWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11-5-4-6-13(9-11)18-15-10-12(7-8-14(15)17)16(20)19(2)3/h7-8,10-11,13,18H,4-6,9H2,1-3H3.
What are the key properties of 4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide?
4-chloro-N,N-dimethyl-3-[(3-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-3-[(3-methylcyclohexyl)amino]benzamide is sourced from PubChem (CID 43738737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).