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

C19H21ClN2O2 — CID 113162771

IUPAC2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(Cc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C19H21ClN2O2/c1-3-16-6-4-5-7-18(16)21-19(24)13-22(14(2)23)12-15-8-10-17(20)11-9-15/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyPHAKJJRXGNMMSW-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.89
Rot. Bonds6

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

2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2-ethylphenyl)acetamide (PubChem CID 113162771) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2-ethylphenyl)acetamide
PubChem CID113162771
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(Cc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C19H21ClN2O2/c1-3-16-6-4-5-7-18(16)21-19(24)13-22(14(2)23)12-15-8-10-17(20)11-9-15/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyPHAKJJRXGNMMSW-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 113162786
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide
CID 113163650
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113162766
N-(2-ethylphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 27095559
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 113162680
N,N-bis[(4-chlorophenyl)methyl]acetamide
CID 22660922
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 113162306
2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 9039948
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579246
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 26510093
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113162790
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyphenyl)acetamide
CID 113163139

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2-ethylphenyl)acetamide (CID 113162771) is 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(Cc1ccc(Cl)cc1)C(C)=O.
What is the InChIKey of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2-ethylphenyl)acetamide?
The InChIKey is PHAKJJRXGNMMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-3-16-6-4-5-7-18(16)21-19(24)13-22(14(2)23)12-15-8-10-17(20)11-9-15/h4-11H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2-ethylphenyl)acetamide?
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2-ethylphenyl)acetamide has a molecular weight of 344.84 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 113162771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).