(E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide

C14H12BrNO3 — CID 961103

IUPAC(E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccco2)cc1Br
InChIInChI=1S/C14H12BrNO3/c1-18-13-6-4-10(9-12(13)15)16-14(17)7-5-11-3-2-8-19-11/h2-9H,1H3,(H,16,17)/b7-5+
InChIKeyCATHNVXTNLUBLV-FNORWQNLSA-N
MW322.16 g/mol
LogP3.70
Rot. Bonds4

About (E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 961103) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is (E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID961103
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Name(E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccco2)cc1Br
InChIInChI=1S/C14H12BrNO3/c1-18-13-6-4-10(9-12(13)15)16-14(17)7-5-11-3-2-8-19-11/h2-9H,1H3,(H,16,17)/b7-5+
InChIKeyCATHNVXTNLUBLV-FNORWQNLSA-N
XLogP3.70
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide
CID 1191602
4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-methoxybenzoic acid
CID 107208592
(E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide
CID 17101941
N-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 77069436
N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 4510593
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809
(E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 6214482
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838
methyl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 2303057
N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2921877
N-[(3,4-dimethylphenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 884086
methyl 2-[[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoyl]amino]-3-hydroxybutanoate
CID 139401672

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide (CID 961103) is (E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccco2)cc1Br.
What is the InChIKey of (E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is CATHNVXTNLUBLV-FNORWQNLSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-18-13-6-4-10(9-12(13)15)16-14(17)7-5-11-3-2-8-19-11/h2-9H,1H3,(H,16,17)/b7-5+.
What are the key properties of (E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 322.16 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 961103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).