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

C15H10BrClFNO — CID 4156225

IUPACN-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H10BrClFNO/c16-11-6-7-14(13(18)9-11)19-15(20)8-5-10-3-1-2-4-12(10)17/h1-9H,(H,19,20)
InChIKeyBXXMBACPCIUXJZ-UHFFFAOYSA-N
MW354.61 g/mol
LogP4.89
Rot. Bonds3

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

N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide (PubChem CID 4156225) has the molecular formula C15H10BrClFNO and a molecular weight of 354.61 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide
PubChem CID4156225
Molecular FormulaC15H10BrClFNO
Molecular Weight354.61 g/mol
Exact Mass352.96
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H10BrClFNO/c16-11-6-7-14(13(18)9-11)19-15(20)8-5-10-3-1-2-4-12(10)17/h1-9H,(H,19,20)
InChIKeyBXXMBACPCIUXJZ-UHFFFAOYSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.61
LogP ≤ 54.89
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-(2-fluorophenyl)prop-2-enamide
CID 966058
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049
N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 75997090
(E)-N-(4-bromo-2-fluorophenyl)-3-(2-butoxyphenyl)prop-2-enamide
CID 53267575
(E)-N-(4-bromo-2-fluorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2111077
N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
CID 3990613
5-chloro-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]benzoic acid
CID 23292165
N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide
CID 1279612
(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700919
3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700917
N-(4-bromo-2-fluorophenyl)-2-oxoacetamide
CID 146561302
(E)-N-(4-bromo-2-methylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 1325728

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide (CID 4156225) is N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide is O=C(C=Cc1ccccc1Cl)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide?
The InChIKey is BXXMBACPCIUXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFNO/c16-11-6-7-14(13(18)9-11)19-15(20)8-5-10-3-1-2-4-12(10)17/h1-9H,(H,19,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide?
N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide has a molecular weight of 354.61 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 4156225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).