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

C19H21ClN2O2 — CID 113161666

IUPAC2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Cl)c1C)Cc1cccc(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-13-6-4-7-16(10-13)11-22(15(3)23)12-19(24)21-18-9-5-8-17(20)14(18)2/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyJKLBTHTYOVYDTQ-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.94
Rot. Bonds5

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

2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 113161666) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID113161666
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Cl)c1C)Cc1cccc(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-13-6-4-7-16(10-13)11-22(15(3)23)12-19(24)21-18-9-5-8-17(20)14(18)2/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyJKLBTHTYOVYDTQ-UHFFFAOYSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113161698
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 113118703
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylacetamide
CID 113161549
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide
CID 113161924
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113161689
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113171767
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 113120650
2-(N-acetyl-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113167376
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113164244
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113162766
3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 113115032
2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113168353

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide (CID 113161666) is 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide is CC(=O)N(CC(=O)Nc1cccc(Cl)c1C)Cc1cccc(C)c1.
What is the InChIKey of 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is JKLBTHTYOVYDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13-6-4-7-16(10-13)11-22(15(3)23)12-19(24)21-18-9-5-8-17(20)14(18)2/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide?
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 344.84 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 113161666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).