N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide

C16H12Br2FNO2 — CID 3990613

IUPACN-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(Br)cc1C=CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C16H12Br2FNO2/c1-22-15-6-4-11(17)8-10(15)2-7-16(21)20-14-5-3-12(18)9-13(14)19/h2-9H,1H3,(H,20,21)
InChIKeyDCKKHKMJGVALRW-UHFFFAOYSA-N
MW429.08 g/mol
LogP5.01
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide

N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide (PubChem CID 3990613) has the molecular formula C16H12Br2FNO2 and a molecular weight of 429.08 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
PubChem CID3990613
Molecular FormulaC16H12Br2FNO2
Molecular Weight429.08 g/mol
Exact Mass426.92
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(Br)cc1C=CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C16H12Br2FNO2/c1-22-15-6-4-11(17)8-10(15)2-7-16(21)20-14-5-3-12(18)9-13(14)19/h2-9H,1H3,(H,20,21)
InChIKeyDCKKHKMJGVALRW-UHFFFAOYSA-N
XLogP5.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.08
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-bromo-2-fluorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2111077
(E)-N-(2,4-dibromophenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 16562719
(E)-3-(5-bromo-2-methoxyphenyl)-N-(5-tert-butyl-2-methoxyphenyl)prop-2-enamide
CID 7935899
(E)-N-(4-bromo-2-fluorophenyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 16552810
(E)-3-(5-bromo-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 19206457
3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide
CID 4989613
(E)-3-(5-bromo-2-methoxyphenyl)-N-[4-(diethylamino)-2-methylphenyl]prop-2-enamide
CID 22776794
(E)-N-(4-bromo-2-fluorophenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 53267301
N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4023340
(E)-N-(2,5-dibromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 39166862
N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 75997090
(E)-3-(5-bromo-2-methoxyphenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 7935033

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide (CID 3990613) is N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide is COc1ccc(Br)cc1C=CC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide?
The InChIKey is DCKKHKMJGVALRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2FNO2/c1-22-15-6-4-11(17)8-10(15)2-7-16(21)20-14-5-3-12(18)9-13(14)19/h2-9H,1H3,(H,20,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide?
N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide has a molecular weight of 429.08 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 3990613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).