(E)-N-[1-(4-bromophenyl)cyclopropyl]-3-(2-methoxyphenyl)prop-2-enamide

C19H18BrNO2 — CID 55825522

IUPAC(E)-N-[1-(4-bromophenyl)cyclopropyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H18BrNO2/c1-23-17-5-3-2-4-14(17)6-11-18(22)21-19(12-13-19)15-7-9-16(20)10-8-15/h2-11H,12-13H2,1H3,(H,21,22)/b11-6+
InChIKeyIYMHVOGPNUPMQW-IZZDOVSWSA-N
MW372.26 g/mol
LogP4.28
Rot. Bonds5

About (E)-N-[1-(4-bromophenyl)cyclopropyl]-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-[1-(4-bromophenyl)cyclopropyl]-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 55825522) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is (E)-N-[1-(4-bromophenyl)cyclopropyl]-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-bromophenyl)cyclopropyl]-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID55825522
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name(E)-N-[1-(4-bromophenyl)cyclopropyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H18BrNO2/c1-23-17-5-3-2-4-14(17)6-11-18(22)21-19(12-13-19)15-7-9-16(20)10-8-15/h2-11H,12-13H2,1H3,(H,21,22)/b11-6+
InChIKeyIYMHVOGPNUPMQW-IZZDOVSWSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.28
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

N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
1-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 45427653
N-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 76945995
(E)-N-(5-bromo-2-pyridinyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 127123442
(E)-N-[1-(4-bromophenyl)cyclopropyl]-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enamide
CID 55825524
(E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 734257
2-[3-(2-methoxyphenyl)prop-2-enoylamino]acetyl chloride
CID 57046657
(E)-N-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903
(2R)-2-[3-(2-methoxyphenyl)prop-2-enoylamino]-3-methylbutanoic acid
CID 79011008
2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide
CID 110443986
tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate
CID 53216208
(E)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 16564214

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-bromophenyl)cyclopropyl]-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[1-(4-bromophenyl)cyclopropyl]-3-(2-methoxyphenyl)prop-2-enamide (CID 55825522) is (E)-N-[1-(4-bromophenyl)cyclopropyl]-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-bromophenyl)cyclopropyl]-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-bromophenyl)cyclopropyl]-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)NC1(c2ccc(Br)cc2)CC1.
What is the InChIKey of (E)-N-[1-(4-bromophenyl)cyclopropyl]-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is IYMHVOGPNUPMQW-IZZDOVSWSA-N. The full InChI is InChI=1S/C19H18BrNO2/c1-23-17-5-3-2-4-14(17)6-11-18(22)21-19(12-13-19)15-7-9-16(20)10-8-15/h2-11H,12-13H2,1H3,(H,21,22)/b11-6+.
What are the key properties of (E)-N-[1-(4-bromophenyl)cyclopropyl]-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-[1-(4-bromophenyl)cyclopropyl]-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 372.26 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-bromophenyl)cyclopropyl]-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 55825522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).