N-[3-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl]propanamide

C19H18BrNO3 — CID 6284238

IUPACN-[3-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(=O)/C=C/c2cc(Br)ccc2OC)c1
InChIInChI=1S/C19H18BrNO3/c1-3-19(23)21-16-6-4-5-13(12-16)17(22)9-7-14-11-15(20)8-10-18(14)24-2/h4-12H,3H2,1-2H3,(H,21,23)/b9-7+
InChIKeyWZRZUAQHORWSBK-VQHVLOKHSA-N
MW388.26 g/mol
LogP4.70
Rot. Bonds6

About N-[3-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl]propanamide

N-[3-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl]propanamide (PubChem CID 6284238) has the molecular formula C19H18BrNO3 and a molecular weight of 388.26 g/mol. Its IUPAC name is N-[3-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl]propanamide
PubChem CID6284238
Molecular FormulaC19H18BrNO3
Molecular Weight388.26 g/mol
Exact Mass387.05
IUPAC NameN-[3-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(=O)/C=C/c2cc(Br)ccc2OC)c1
InChIInChI=1S/C19H18BrNO3/c1-3-19(23)21-16-6-4-5-13(12-16)17(22)9-7-14-11-15(20)8-10-18(14)24-2/h4-12H,3H2,1-2H3,(H,21,23)/b9-7+
InChIKeyWZRZUAQHORWSBK-VQHVLOKHSA-N
XLogP4.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 54.70
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-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide
CID 93002866
[3-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]phenyl] propanoate
CID 17341954
1-(3-bromophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 84848649
3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide
CID 4989613
3-(5-bromo-2-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 2880937
(E)-3-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 5346121
(E)-3-(5-bromo-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 19206457
(E)-3-(5-bromo-2-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 41177590
N-[3-[[(Z)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-4-chlorophenyl]butanamide
CID 2447641
(E)-3-(5-bromo-2-methoxyphenyl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide
CID 1116370
(E)-3-(5-bromo-2-ethoxyphenyl)-1-(4-bromophenyl)prop-2-en-1-one
CID 19541408
3-(5-bromo-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)prop-2-enamide
CID 77064958

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl]propanamide?
The IUPAC name of N-[3-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl]propanamide (CID 6284238) is N-[3-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl]propanamide.
What is the SMILES notation for N-[3-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl]propanamide?
The canonical SMILES for N-[3-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl]propanamide is CCC(=O)Nc1cccc(C(=O)/C=C/c2cc(Br)ccc2OC)c1.
What is the InChIKey of N-[3-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl]propanamide?
The InChIKey is WZRZUAQHORWSBK-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H18BrNO3/c1-3-19(23)21-16-6-4-5-13(12-16)17(22)9-7-14-11-15(20)8-10-18(14)24-2/h4-12H,3H2,1-2H3,(H,21,23)/b9-7+.
What are the key properties of N-[3-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl]propanamide?
N-[3-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl]propanamide has a molecular weight of 388.26 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl]propanamide is sourced from PubChem (CID 6284238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).