3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide

C15H11Cl2NO — CID 692536

IUPAC3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)Nc1cccc(Cl)c1
InChIInChI=1S/C15H11Cl2NO/c16-12-5-3-6-13(10-12)18-15(19)9-8-11-4-1-2-7-14(11)17/h1-10H,(H,18,19)
InChIKeyZHHRHPCAXOSOIH-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.65
Rot. Bonds3

About 3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide

3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide (PubChem CID 692536) has the molecular formula C15H11Cl2NO and a molecular weight of 292.17 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
PubChem CID692536
Molecular FormulaC15H11Cl2NO
Molecular Weight292.17 g/mol
Exact Mass291.02
IUPAC Name3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)Nc1cccc(Cl)c1
InChIInChI=1S/C15H11Cl2NO/c16-12-5-3-6-13(10-12)18-15(19)9-8-11-4-1-2-7-14(11)17/h1-10H,(H,18,19)
InChIKeyZHHRHPCAXOSOIH-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.65
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-(3,5-dichlorophenyl)prop-2-enamide
CID 966103
3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 692605
(E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 966048
3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
(Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2169951
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049
(E)-3-(2,4-dichlorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 872620
N-(3-chlorophenyl)-3-(2,4-difluoro-3-hydroxyphenyl)prop-2-enamide
CID 67337772
(E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-4-methylphenyl]prop-2-enamide
CID 6234801
(E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2665177
(E)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 895562
3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 5185153

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide (CID 692536) is 3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide is O=C(C=Cc1ccccc1Cl)Nc1cccc(Cl)c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide?
The InChIKey is ZHHRHPCAXOSOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO/c16-12-5-3-6-13(10-12)18-15(19)9-8-11-4-1-2-7-14(11)17/h1-10H,(H,18,19).
What are the key properties of 3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide?
3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide has a molecular weight of 292.17 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 692536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).