N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide

C15H10Cl2FNO — CID 4181979

IUPACN-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(Cl)c1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C15H10Cl2FNO/c16-11-3-1-2-10(8-11)4-7-15(20)19-14-6-5-12(17)9-13(14)18/h1-9H,(H,19,20)
InChIKeyYOLQVAQUIVBPAE-UHFFFAOYSA-N
MW310.16 g/mol
LogP4.78
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide

N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide (PubChem CID 4181979) has the molecular formula C15H10Cl2FNO and a molecular weight of 310.16 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide
PubChem CID4181979
Molecular FormulaC15H10Cl2FNO
Molecular Weight310.16 g/mol
Exact Mass309.01
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(Cl)c1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C15H10Cl2FNO/c16-11-3-1-2-10(8-11)4-7-15(20)19-14-6-5-12(17)9-13(14)18/h1-9H,(H,19,20)
InChIKeyYOLQVAQUIVBPAE-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 2521630
3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide
CID 75618948
3-(4-tert-butylphenyl)-N-(4-chloro-2-fluorophenyl)prop-2-enamide
CID 3425508
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-3-hydroxybenzoic acid
CID 108766495
(Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 22306140
(E)-3-(3-chlorophenyl)-N-[4-[4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]prop-2-enamide
CID 6167581
(E)-N-(4-chloro-2-fluorophenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 2477751
(E)-N-(5-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 8502365
3-(3-chlorophenyl)-N-cyanoprop-2-enamide
CID 79195183
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(4-chloro-2-fluorophenyl)prop-2-enamide
CID 9097467
(E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide
CID 6060588

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide (CID 4181979) is N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide is O=C(C=Cc1cccc(Cl)c1)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide?
The InChIKey is YOLQVAQUIVBPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FNO/c16-11-3-1-2-10(8-11)4-7-15(20)19-14-6-5-12(17)9-13(14)18/h1-9H,(H,19,20).
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide?
N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide has a molecular weight of 310.16 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 4181979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).