N-[2-[[3-(4-chlorophenyl)-3-oxo-1-phenylprop-1-enyl]amino]phenyl]acetamide

C23H19ClN2O2 — CID 175155233

IUPACN-[2-[[3-(4-chlorophenyl)-3-oxo-1-phenylprop-1-enyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1NC(=CC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C23H19ClN2O2/c1-16(27)25-20-9-5-6-10-21(20)26-22(17-7-3-2-4-8-17)15-23(28)18-11-13-19(24)14-12-18/h2-15,26H,1H3,(H,25,27)
InChIKeyQCVHEJHTZLRTHP-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.63
Rot. Bonds6

About N-[2-[[3-(4-chlorophenyl)-3-oxo-1-phenylprop-1-enyl]amino]phenyl]acetamide

N-[2-[[3-(4-chlorophenyl)-3-oxo-1-phenylprop-1-enyl]amino]phenyl]acetamide (PubChem CID 175155233) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-[2-[[3-(4-chlorophenyl)-3-oxo-1-phenylprop-1-enyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-(4-chlorophenyl)-3-oxo-1-phenylprop-1-enyl]amino]phenyl]acetamide
PubChem CID175155233
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC NameN-[2-[[3-(4-chlorophenyl)-3-oxo-1-phenylprop-1-enyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1NC(=CC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C23H19ClN2O2/c1-16(27)25-20-9-5-6-10-21(20)26-22(17-7-3-2-4-8-17)15-23(28)18-11-13-19(24)14-12-18/h2-15,26H,1H3,(H,25,27)
InChIKeyQCVHEJHTZLRTHP-UHFFFAOYSA-N
XLogP5.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-chloro-2-iodoanilino)-1,3-diphenylprop-2-en-1-one
CID 166437412
(E)-3-(2-bromoanilino)-1,3-diphenylprop-2-en-1-one
CID 15112394
(Z)-3-(4-chloroanilino)-1-phenylbut-2-en-1-one
CID 5408006
(Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-1,3-diphenylprop-2-en-1-one
CID 135072365
[(E)-4-oxo-4-phenylbut-2-en-2-yl] 4-chlorobenzoate
CID 169006940
1-(4-chlorophenyl)-3-methylbut-2-en-1-one
CID 15164203
1-(4-chlorophenyl)-3-(2,3-dimethylanilino)but-2-en-1-one
CID 798918
(Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one
CID 51356633
(Z)-3-anilino-1-(4-chlorophenyl)-3-methylsulfanylprop-2-en-1-one
CID 12884917
(Z)-3-(2-bromo-4-methoxyanilino)-1,3-diphenylprop-2-en-1-one
CID 141419848
(E)-1-(4-chlorophenyl)-3-(1-phenylethylamino)but-2-en-1-one
CID 6240831
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(4-chlorophenyl)-3-oxo-1-phenylprop-1-enyl]amino]phenyl]acetamide?
The IUPAC name of N-[2-[[3-(4-chlorophenyl)-3-oxo-1-phenylprop-1-enyl]amino]phenyl]acetamide (CID 175155233) is N-[2-[[3-(4-chlorophenyl)-3-oxo-1-phenylprop-1-enyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[2-[[3-(4-chlorophenyl)-3-oxo-1-phenylprop-1-enyl]amino]phenyl]acetamide?
The canonical SMILES for N-[2-[[3-(4-chlorophenyl)-3-oxo-1-phenylprop-1-enyl]amino]phenyl]acetamide is CC(=O)Nc1ccccc1NC(=CC(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[2-[[3-(4-chlorophenyl)-3-oxo-1-phenylprop-1-enyl]amino]phenyl]acetamide?
The InChIKey is QCVHEJHTZLRTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c1-16(27)25-20-9-5-6-10-21(20)26-22(17-7-3-2-4-8-17)15-23(28)18-11-13-19(24)14-12-18/h2-15,26H,1H3,(H,25,27).
What are the key properties of N-[2-[[3-(4-chlorophenyl)-3-oxo-1-phenylprop-1-enyl]amino]phenyl]acetamide?
N-[2-[[3-(4-chlorophenyl)-3-oxo-1-phenylprop-1-enyl]amino]phenyl]acetamide has a molecular weight of 390.87 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(4-chlorophenyl)-3-oxo-1-phenylprop-1-enyl]amino]phenyl]acetamide is sourced from PubChem (CID 175155233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).