N-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide

C16H15ClN2O2 — CID 2535403

IUPACN-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2O2/c17-13-7-4-8-14(10-13)19-16(21)11-18-15(20)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,20)(H,19,21)
InChIKeyASQHXVCKZAMHDU-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.64
Rot. Bonds5

About N-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide

N-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide (PubChem CID 2535403) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide
PubChem CID2535403
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2O2/c17-13-7-4-8-14(10-13)19-16(21)11-18-15(20)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,20)(H,19,21)
InChIKeyASQHXVCKZAMHDU-UHFFFAOYSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide (CID 2535403) is N-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide?
The InChIKey is ASQHXVCKZAMHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-13-7-4-8-14(10-13)19-16(21)11-18-15(20)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,20)(H,19,21).
What are the key properties of N-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide?
N-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide has a molecular weight of 302.76 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 2535403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).