3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide

C15H10Cl3NO — CID 3324390

IUPAC3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H10Cl3NO/c16-11-4-1-10(2-5-11)3-8-15(20)19-14-9-12(17)6-7-13(14)18/h1-9H,(H,19,20)
InChIKeyKQDFXLOLTLDGTB-UHFFFAOYSA-N
MW326.61 g/mol
LogP5.30
Rot. Bonds3

About 3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide

3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide (PubChem CID 3324390) has the molecular formula C15H10Cl3NO and a molecular weight of 326.61 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide
PubChem CID3324390
Molecular FormulaC15H10Cl3NO
Molecular Weight326.61 g/mol
Exact Mass324.98
IUPAC Name3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H10Cl3NO/c16-11-4-1-10(2-5-11)3-8-15(20)19-14-9-12(17)6-7-13(14)18/h1-9H,(H,19,20)
InChIKeyKQDFXLOLTLDGTB-UHFFFAOYSA-N
XLogP5.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.61
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227087
(E)-3-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide
CID 82880971
(E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 1290272
(E)-N-(2,5-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18808993
(E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 6293145
(E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 81271763
(E)-N-[2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-(4-chlorophenyl)prop-2-enamide
CID 54858889
N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 75842434
3-(4-tert-butylphenyl)-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 4161099
2-[3-(4-bromophenyl)prop-2-enoylamino]-4-chlorobenzoic acid
CID 54565649
(E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 28867709
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 4027785

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide (CID 3324390) is 3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide?
The InChIKey is KQDFXLOLTLDGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NO/c16-11-4-1-10(2-5-11)3-8-15(20)19-14-9-12(17)6-7-13(14)18/h1-9H,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide?
3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide has a molecular weight of 326.61 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 3324390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).