N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide

C17H17ClN2O2 — CID 112997768

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-12-5-4-6-13(9-12)10-16(21)19-11-17(22)20-15-8-3-2-7-14(15)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyMXQLQTPLPXQBJY-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.95
Rot. Bonds5

About N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide

N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide (PubChem CID 112997768) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
PubChem CID112997768
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-12-5-4-6-13(9-12)10-16(21)19-11-17(22)20-15-8-3-2-7-14(15)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyMXQLQTPLPXQBJY-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dichloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 113001513
N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9411308
3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054323
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 27676992
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 9495603
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2449630
N-[2-(4-ethylanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996808
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
2-(3-methylphenyl)-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992263
N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411325
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113018452
N-[2-(2-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 2224642

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide (CID 112997768) is N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide?
The InChIKey is MXQLQTPLPXQBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12-5-4-6-13(9-12)10-16(21)19-11-17(22)20-15-8-3-2-7-14(15)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide has a molecular weight of 316.79 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 112997768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).