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

C15H10Cl3NO — CID 966048

IUPAC(E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl3NO/c16-12-4-2-1-3-10(12)5-8-15(20)19-11-6-7-13(17)14(18)9-11/h1-9H,(H,19,20)/b8-5+
InChIKeyQTQPRQNWHCCTPR-VMPITWQZSA-N
MW326.61 g/mol
LogP5.30
Rot. Bonds3

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

(E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide (PubChem CID 966048) has the molecular formula C15H10Cl3NO and a molecular weight of 326.61 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
PubChem CID966048
Molecular FormulaC15H10Cl3NO
Molecular Weight326.61 g/mol
Exact Mass324.98
IUPAC Name(E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl3NO/c16-12-4-2-1-3-10(12)5-8-15(20)19-11-6-7-13(17)14(18)9-11/h1-9H,(H,19,20)/b8-5+
InChIKeyQTQPRQNWHCCTPR-VMPITWQZSA-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

3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 692536
3-(2-chlorophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
CID 966103
3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 692605
(E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-4-methylphenyl]prop-2-enamide
CID 6234801
(E)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 895562
(E)-3-(2-chlorophenyl)-N-[4-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 6242476
(Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2169951
(E)-3-(2-chloro-6-fluorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 6105621
(E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 6025623
N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-3-(2-chlorophenyl)prop-2-enamide
CID 52940521
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 8698699

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide (CID 966048) is (E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide is O=C(/C=C/c1ccccc1Cl)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide?
The InChIKey is QTQPRQNWHCCTPR-VMPITWQZSA-N. The full InChI is InChI=1S/C15H10Cl3NO/c16-12-4-2-1-3-10(12)5-8-15(20)19-11-6-7-13(17)14(18)9-11/h1-9H,(H,19,20)/b8-5+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(3,4-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 (E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 966048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).