N-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide

C17H16ClNO2 — CID 11666596

IUPACN-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO2/c1-12(20)19-16(13-7-9-15(18)10-8-13)11-17(21)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3,(H,19,20)
InChIKeySUGCOOMZDRCCQR-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.79
Rot. Bonds5

About N-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide

N-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide (PubChem CID 11666596) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide
PubChem CID11666596
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC NameN-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO2/c1-12(20)19-16(13-7-9-15(18)10-8-13)11-17(21)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3,(H,19,20)
InChIKeySUGCOOMZDRCCQR-UHFFFAOYSA-N
XLogP3.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide (CID 11666596) is N-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide is CC(=O)NC(CC(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide?
The InChIKey is SUGCOOMZDRCCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-12(20)19-16(13-7-9-15(18)10-8-13)11-17(21)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3,(H,19,20).
What are the key properties of N-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide?
N-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide has a molecular weight of 301.77 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide is sourced from PubChem (CID 11666596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).