N-[(E)-3-(4-bromophenyl)-1-(4-methoxyphenyl)prop-2-enyl]benzamide

C23H20BrNO2 — CID 46855421

IUPACN-[(E)-3-(4-bromophenyl)-1-(4-methoxyphenyl)prop-2-enyl]benzamide
SMILESCOc1ccc(C(/C=C/c2ccc(Br)cc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20BrNO2/c1-27-21-14-10-18(11-15-21)22(16-9-17-7-12-20(24)13-8-17)25-23(26)19-5-3-2-4-6-19/h2-16,22H,1H3,(H,25,26)/b16-9+
InChIKeyMLBVAZONQFSWHX-CXUHLZMHSA-N
MW422.32 g/mol
LogP5.64
Rot. Bonds6

About N-[(E)-3-(4-bromophenyl)-1-(4-methoxyphenyl)prop-2-enyl]benzamide

N-[(E)-3-(4-bromophenyl)-1-(4-methoxyphenyl)prop-2-enyl]benzamide (PubChem CID 46855421) has the molecular formula C23H20BrNO2 and a molecular weight of 422.32 g/mol. Its IUPAC name is N-[(E)-3-(4-bromophenyl)-1-(4-methoxyphenyl)prop-2-enyl]benzamide.

Molecular Properties

Compound NameN-[(E)-3-(4-bromophenyl)-1-(4-methoxyphenyl)prop-2-enyl]benzamide
PubChem CID46855421
Molecular FormulaC23H20BrNO2
Molecular Weight422.32 g/mol
Exact Mass421.07
IUPAC NameN-[(E)-3-(4-bromophenyl)-1-(4-methoxyphenyl)prop-2-enyl]benzamide
SMILESCOc1ccc(C(/C=C/c2ccc(Br)cc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20BrNO2/c1-27-21-14-10-18(11-15-21)22(16-9-17-7-12-20(24)13-8-17)25-23(26)19-5-3-2-4-6-19/h2-16,22H,1H3,(H,25,26)/b16-9+
InChIKeyMLBVAZONQFSWHX-CXUHLZMHSA-N
XLogP5.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.32
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide
CID 2952126
N-[(E,1R)-1,3-diphenylprop-2-enyl]-4-methoxyaniline
CID 102394661
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxyphenyl)methyl]benzamide
CID 2526949
N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide
CID 2288457
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
4-bromo-N-[3-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]benzamide
CID 40790967
(E)-1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5357659
N-[(1R)-1-(4-bromophenoxy)-2,2,2-trichloroethyl]-4-methoxybenzamide
CID 1243183
4-bromo-N-[1-[(4-methoxyphenyl)carbamothioylamino]-2-oxo-2-phenylethyl]benzamide
CID 56697874
N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]benzamide
CID 177427764
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(4-bromophenyl)-1-(4-methoxyphenyl)prop-2-enyl]benzamide?
The IUPAC name of N-[(E)-3-(4-bromophenyl)-1-(4-methoxyphenyl)prop-2-enyl]benzamide (CID 46855421) is N-[(E)-3-(4-bromophenyl)-1-(4-methoxyphenyl)prop-2-enyl]benzamide.
What is the SMILES notation for N-[(E)-3-(4-bromophenyl)-1-(4-methoxyphenyl)prop-2-enyl]benzamide?
The canonical SMILES for N-[(E)-3-(4-bromophenyl)-1-(4-methoxyphenyl)prop-2-enyl]benzamide is COc1ccc(C(/C=C/c2ccc(Br)cc2)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-3-(4-bromophenyl)-1-(4-methoxyphenyl)prop-2-enyl]benzamide?
The InChIKey is MLBVAZONQFSWHX-CXUHLZMHSA-N. The full InChI is InChI=1S/C23H20BrNO2/c1-27-21-14-10-18(11-15-21)22(16-9-17-7-12-20(24)13-8-17)25-23(26)19-5-3-2-4-6-19/h2-16,22H,1H3,(H,25,26)/b16-9+.
What are the key properties of N-[(E)-3-(4-bromophenyl)-1-(4-methoxyphenyl)prop-2-enyl]benzamide?
N-[(E)-3-(4-bromophenyl)-1-(4-methoxyphenyl)prop-2-enyl]benzamide has a molecular weight of 422.32 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-bromophenyl)-1-(4-methoxyphenyl)prop-2-enyl]benzamide is sourced from PubChem (CID 46855421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).