2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide

C18H19ClN2O2 — CID 113161859

IUPAC2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C)cc1
InChIInChI=1S/C18H19ClN2O2/c1-13-6-8-15(9-7-13)11-21(14(2)22)12-18(23)20-17-5-3-4-16(19)10-17/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyFGMBGGIKQBWQMJ-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.64
Rot. Bonds5

About 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide

2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide (PubChem CID 113161859) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide
PubChem CID113161859
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C)cc1
InChIInChI=1S/C18H19ClN2O2/c1-13-6-8-15(9-7-13)11-21(14(2)22)12-18(23)20-17-5-3-4-16(19)10-17/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyFGMBGGIKQBWQMJ-UHFFFAOYSA-N
XLogP3.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide
CID 113161924
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113161843
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113161867
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 113162786
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113162790
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113162766
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 113163104
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 113166982
2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide
CID 113167570
(2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517313
2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113161287

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide (CID 113161859) is 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide is CC(=O)N(CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C)cc1.
What is the InChIKey of 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide?
The InChIKey is FGMBGGIKQBWQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13-6-8-15(9-7-13)11-21(14(2)22)12-18(23)20-17-5-3-4-16(19)10-17/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide?
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide has a molecular weight of 330.82 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 113161859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).