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

C17H16BrNO3 — CID 1192033

IUPAC(Z)-2-bromo-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide
SMILESCOc1ccc(NC(=O)/C(Br)=C/c2ccccc2)c(OC)c1
InChIInChI=1S/C17H16BrNO3/c1-21-13-8-9-15(16(11-13)22-2)19-17(20)14(18)10-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,19,20)/b14-10-
InChIKeyUUFRQDYZPPBDSR-UVTDQMKNSA-N
MW362.22 g/mol
LogP4.08
Rot. Bonds5

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

(Z)-2-bromo-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide (PubChem CID 1192033) has the molecular formula C17H16BrNO3 and a molecular weight of 362.22 g/mol. Its IUPAC name is (Z)-2-bromo-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-bromo-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide
PubChem CID1192033
Molecular FormulaC17H16BrNO3
Molecular Weight362.22 g/mol
Exact Mass361.03
IUPAC Name(Z)-2-bromo-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide
SMILESCOc1ccc(NC(=O)/C(Br)=C/c2ccccc2)c(OC)c1
InChIInChI=1S/C17H16BrNO3/c1-21-13-8-9-15(16(11-13)22-2)19-17(20)14(18)10-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,19,20)/b14-10-
InChIKeyUUFRQDYZPPBDSR-UVTDQMKNSA-N
XLogP4.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.08
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

N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide
CID 889648
(E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 19169431
(Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 1191949
(Z)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-2-enamide
CID 716265
2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide
CID 716250
N'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide
CID 44998153
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 101065891
N'-(2,4-dimethoxyphenyl)-N-(3-methoxyphenyl)oxamide
CID 44998139
(Z)-N-(2-methoxy-4-methylphenyl)-2,3-diphenylprop-2-enamide
CID 6140104
2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline
CID 11414530
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380

Frequently Asked Questions

What is the IUPAC name of (Z)-2-bromo-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-bromo-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide (CID 1192033) is (Z)-2-bromo-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-bromo-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-bromo-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide is COc1ccc(NC(=O)/C(Br)=C/c2ccccc2)c(OC)c1.
What is the InChIKey of (Z)-2-bromo-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide?
The InChIKey is UUFRQDYZPPBDSR-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H16BrNO3/c1-21-13-8-9-15(16(11-13)22-2)19-17(20)14(18)10-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,19,20)/b14-10-.
What are the key properties of (Z)-2-bromo-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide?
(Z)-2-bromo-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide has a molecular weight of 362.22 g/mol, XLogP of 4.08, 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-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 1192033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).