(Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide

C17H15BrClNO3 — CID 1191949

IUPAC(Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide
SMILESCOc1cc(NC(=O)/C(Br)=C/c2ccccc2)c(OC)cc1Cl
InChIInChI=1S/C17H15BrClNO3/c1-22-15-10-14(16(23-2)9-13(15)19)20-17(21)12(18)8-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,21)/b12-8-
InChIKeyOCIAVSCNMWMLEP-WQLSENKSSA-N
MW396.67 g/mol
LogP4.73
Rot. Bonds5

About (Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide

(Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide (PubChem CID 1191949) has the molecular formula C17H15BrClNO3 and a molecular weight of 396.67 g/mol. Its IUPAC name is (Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide
PubChem CID1191949
Molecular FormulaC17H15BrClNO3
Molecular Weight396.67 g/mol
Exact Mass394.99
IUPAC Name(Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide
SMILESCOc1cc(NC(=O)/C(Br)=C/c2ccccc2)c(OC)cc1Cl
InChIInChI=1S/C17H15BrClNO3/c1-22-15-10-14(16(23-2)9-13(15)19)20-17(21)12(18)8-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,21)/b12-8-
InChIKeyOCIAVSCNMWMLEP-WQLSENKSSA-N
XLogP4.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-2-enamide
CID 716265
(Z)-2-bromo-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 1192033
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514378
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 108511701
N-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide
CID 108530208
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502302
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide
CID 716250
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509414
N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide
CID 889648
N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide
CID 5085648
N'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide
CID 108506924

Frequently Asked Questions

What is the IUPAC name of (Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide (CID 1191949) is (Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide is COc1cc(NC(=O)/C(Br)=C/c2ccccc2)c(OC)cc1Cl.
What is the InChIKey of (Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide?
The InChIKey is OCIAVSCNMWMLEP-WQLSENKSSA-N. The full InChI is InChI=1S/C17H15BrClNO3/c1-22-15-10-14(16(23-2)9-13(15)19)20-17(21)12(18)8-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,21)/b12-8-.
What are the key properties of (Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide?
(Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide has a molecular weight of 396.67 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 1191949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).