2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide

C17H19ClN2O — CID 27133915

IUPAC2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN(C)Cc1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-13-10-15(18)8-9-16(13)19-17(21)12-20(2)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeySDTIEVBGGYOUJZ-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.72
Rot. Bonds5

About 2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide

2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide (PubChem CID 27133915) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
PubChem CID27133915
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN(C)Cc1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-13-10-15(18)8-9-16(13)19-17(21)12-20(2)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeySDTIEVBGGYOUJZ-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 25250427
2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
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N-(4-chloro-2-methylphenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
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3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
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2-[[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053133
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
N-(4-chloro-2-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9196707
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 26510093
N-(4-chloro-2-fluorophenyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 17487361
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CID 8901305

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide (CID 27133915) is 2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide is Cc1cc(Cl)ccc1NC(=O)CN(C)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide?
The InChIKey is SDTIEVBGGYOUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-13-10-15(18)8-9-16(13)19-17(21)12-20(2)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide?
2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide has a molecular weight of 302.81 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 27133915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).