3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide

C18H21ClN2O — CID 109020626

IUPAC3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN(C)Cc2ccccc2)cc1Cl
InChIInChI=1S/C18H21ClN2O/c1-14-8-9-16(12-17(14)19)20-18(22)10-11-21(2)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyBDIQXWOJPMYUSR-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.11
Rot. Bonds6

About 3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide

3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide (PubChem CID 109020626) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
PubChem CID109020626
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN(C)Cc2ccccc2)cc1Cl
InChIInChI=1S/C18H21ClN2O/c1-14-8-9-16(12-17(14)19)20-18(22)10-11-21(2)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyBDIQXWOJPMYUSR-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
CID 882844
N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024309
3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid
CID 171154533
N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113118831
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123650
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride
CID 90483527
N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761370
N-(3-chloro-4-methylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794634
N-benzyl-3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-methylbenzamide
CID 54816242
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113120459

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide?
The IUPAC name of 3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide (CID 109020626) is 3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide?
The canonical SMILES for 3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCN(C)Cc2ccccc2)cc1Cl.
What is the InChIKey of 3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide?
The InChIKey is BDIQXWOJPMYUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-14-8-9-16(12-17(14)19)20-18(22)10-11-21(2)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of 3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide?
3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide has a molecular weight of 316.83 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide is sourced from PubChem (CID 109020626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).