(E)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide

C16H11BrClF2NO2 — CID 16623537

IUPAC(E)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C16H11BrClF2NO2/c17-12-8-11(18)9-13(15(12)23-16(19)20)21-14(22)7-6-10-4-2-1-3-5-10/h1-9,16H,(H,21,22)/b7-6+
InChIKeyCEOMNMIOPUWXOA-VOTSOKGWSA-N
MW402.62 g/mol
LogP5.36
Rot. Bonds5

About (E)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide

(E)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide (PubChem CID 16623537) has the molecular formula C16H11BrClF2NO2 and a molecular weight of 402.62 g/mol. Its IUPAC name is (E)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide
PubChem CID16623537
Molecular FormulaC16H11BrClF2NO2
Molecular Weight402.62 g/mol
Exact Mass400.96
IUPAC Name(E)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C16H11BrClF2NO2/c17-12-8-11(18)9-13(15(12)23-16(19)20)21-14(22)7-6-10-4-2-1-3-5-10/h1-9,16H,(H,21,22)/b7-6+
InChIKeyCEOMNMIOPUWXOA-VOTSOKGWSA-N
XLogP5.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.62
LogP ≤ 55.36
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

Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2-bromo-4-fluorophenyl ester
CID 91737465
5-Bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 7275223
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 103028857
2-bromo-N-(5-chloro-2-methoxyphenyl)benzamide
CID 770790
n-(3-Bromo-5-chloro-2-(difluoromethoxy)phenyl)cyclopropanecarboxamide
CID 18153350
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]acetamide
CID 60714530
N-(3-bromo-2-phenylmethoxyphenyl)-2,2,2-trifluoroacetamide
CID 18787071
2-bromo-4-chloro-N-(3-fluoro-2-methoxyphenyl)benzamide
CID 141220009
3-(4-chlorophenyl)-N-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 953079
(2E)-3-(4-chlorophenyl)-N-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 953080
4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
CID 1247533
(E)-N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 1672306

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide (CID 16623537) is (E)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1cc(Cl)cc(Br)c1OC(F)F.
What is the InChIKey of (E)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide?
The InChIKey is CEOMNMIOPUWXOA-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H11BrClF2NO2/c17-12-8-11(18)9-13(15(12)23-16(19)20)21-14(22)7-6-10-4-2-1-3-5-10/h1-9,16H,(H,21,22)/b7-6+.
What are the key properties of (E)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide?
(E)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide has a molecular weight of 402.62 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 16623537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).