4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide

C17H19ClN2O — CID 43721017

IUPAC4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(C)c2ccccc2C)c1
InChIInChI=1S/C17H19ClN2O/c1-11-6-4-5-7-14(11)12(2)20-16-10-13(17(21)19-3)8-9-15(16)18/h4-10,12,20H,1-3H3,(H,19,21)
InChIKeyVTCUYRHKDVTPPI-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.18
Rot. Bonds4

About 4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide

4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide (PubChem CID 43721017) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide
PubChem CID43721017
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(C)c2ccccc2C)c1
InChIInChI=1S/C17H19ClN2O/c1-11-6-4-5-7-14(11)12(2)20-16-10-13(17(21)19-3)8-9-15(16)18/h4-10,12,20H,1-3H3,(H,19,21)
InChIKeyVTCUYRHKDVTPPI-UHFFFAOYSA-N
XLogP4.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide
CID 43720989
3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide
CID 43181477
3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111876
4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide
CID 43721027
4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47223817
3-bromo-4-[1-(2-methylphenyl)ethylamino]benzoic acid
CID 82800677
4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
CID 119047574
N-methyl-2-[2-[1-(2-methylphenyl)ethylamino]phenyl]acetamide
CID 43692245
3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43096271
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide
CID 43740192
3,4-dihydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 103955435
4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide
CID 43720994

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide?
The IUPAC name of 4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide (CID 43721017) is 4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide.
What is the SMILES notation for 4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide?
The canonical SMILES for 4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide is CNC(=O)c1ccc(Cl)c(NC(C)c2ccccc2C)c1.
What is the InChIKey of 4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide?
The InChIKey is VTCUYRHKDVTPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-6-4-5-7-14(11)12(2)20-16-10-13(17(21)19-3)8-9-15(16)18/h4-10,12,20H,1-3H3,(H,19,21).
What are the key properties of 4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide?
4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide has a molecular weight of 302.81 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide is sourced from PubChem (CID 43721017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).