(E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide

C14H12ClNO2 — CID 779270

IUPAC(E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c15-12-5-3-11(4-6-12)10-16-14(17)8-7-13-2-1-9-18-13/h1-9H,10H2,(H,16,17)/b8-7+
InChIKeyJCVUJDFADYHHAN-BQYQJAHWSA-N
MW261.71 g/mol
LogP3.26
Rot. Bonds4

About (E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 779270) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is (E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID779270
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name(E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c15-12-5-3-11(4-6-12)10-16-14(17)8-7-13-2-1-9-18-13/h1-9H,10H2,(H,16,17)/b8-7+
InChIKeyJCVUJDFADYHHAN-BQYQJAHWSA-N
XLogP3.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.26
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

3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
2,6-dichloro-4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]benzoic acid
CID 20610026
(E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide
CID 60619034
methyl 2,6-dichloro-4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]benzoate
CID 20610054
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
3-(furan-2-yl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]prop-2-enamide
CID 75269019
3-(furan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 607372
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
3-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 896013
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7700192
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide (CID 779270) is (E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)NCc1ccc(Cl)cc1.
What is the InChIKey of (E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is JCVUJDFADYHHAN-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-12-5-3-11(4-6-12)10-16-14(17)8-7-13-2-1-9-18-13/h1-9H,10H2,(H,16,17)/b8-7+.
What are the key properties of (E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 261.71 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 779270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).