(E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide

C15H14ClNO4 — CID 7275242

IUPAC(E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCOc1cc(OC)c(NC(=O)/C=C/c2ccco2)cc1Cl
InChIInChI=1S/C15H14ClNO4/c1-19-13-9-14(20-2)12(8-11(13)16)17-15(18)6-5-10-4-3-7-21-10/h3-9H,1-2H3,(H,17,18)/b6-5+
InChIKeyLELPKOPZITUCLB-AATRIKPKSA-N
MW307.73 g/mol
LogP3.60
Rot. Bonds5

About (E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 7275242) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is (E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID7275242
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name(E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCOc1cc(OC)c(NC(=O)/C=C/c2ccco2)cc1Cl
InChIInChI=1S/C15H14ClNO4/c1-19-13-9-14(20-2)12(8-11(13)16)17-15(18)6-5-10-4-3-7-21-10/h3-9H,1-2H3,(H,17,18)/b6-5+
InChIKeyLELPKOPZITUCLB-AATRIKPKSA-N
XLogP3.60
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Butanamide, N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-
CID 85565
N-(5-Chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
4-(5-Chloro-2,4-dimethoxyanilino)-4-oxobut-2-enoic acid
CID 5713502
N-(5-chloro-2,4-dimethoxyphenyl)-3-fluorobenzamide
CID 835624
N-(5-chloro-2,4-dimethoxyphenyl)-2-methylfuran-3-carboxamide
CID 1244294
5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)furan-2-carboxamide
CID 1298334
Octadec-9-enoic acid (5-chloro-2,4-dimethoxy-phenyl)-amide
CID 44288197
N-(5-chloro-2,4-dimethoxyphenyl)oxolane-2-carboxamide
CID 2936716
N-(5-chloro-2,4-dimethoxyphenyl)propanamide
CID 836289
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 836286
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
N-(5-chloro-2,4-dimethoxyphenyl)-2-furamide
CID 836314

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide (CID 7275242) is (E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide is COc1cc(OC)c(NC(=O)/C=C/c2ccco2)cc1Cl.
What is the InChIKey of (E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is LELPKOPZITUCLB-AATRIKPKSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-19-13-9-14(20-2)12(8-11(13)16)17-15(18)6-5-10-4-3-7-21-10/h3-9H,1-2H3,(H,17,18)/b6-5+.
What are the key properties of (E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 307.73 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 7275242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).