(E)-3-(1-benzofuran-2-yl)-N-[1-(3-chlorophenyl)ethyl]prop-2-enamide

C19H16ClNO2 — CID 18283459

IUPAC(E)-3-(1-benzofuran-2-yl)-N-[1-(3-chlorophenyl)ethyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1cc2ccccc2o1)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClNO2/c1-13(14-6-4-7-16(20)11-14)21-19(22)10-9-17-12-15-5-2-3-8-18(15)23-17/h2-13H,1H3,(H,21,22)/b10-9+
InChIKeyUUEVUWZQFOFCMA-MDZDMXLPSA-N
MW325.80 g/mol
LogP4.98
Rot. Bonds4

About (E)-3-(1-benzofuran-2-yl)-N-[1-(3-chlorophenyl)ethyl]prop-2-enamide

(E)-3-(1-benzofuran-2-yl)-N-[1-(3-chlorophenyl)ethyl]prop-2-enamide (PubChem CID 18283459) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is (E)-3-(1-benzofuran-2-yl)-N-[1-(3-chlorophenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-benzofuran-2-yl)-N-[1-(3-chlorophenyl)ethyl]prop-2-enamide
PubChem CID18283459
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Name(E)-3-(1-benzofuran-2-yl)-N-[1-(3-chlorophenyl)ethyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1cc2ccccc2o1)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClNO2/c1-13(14-6-4-7-16(20)11-14)21-19(22)10-9-17-12-15-5-2-3-8-18(15)23-17/h2-13H,1H3,(H,21,22)/b10-9+
InChIKeyUUEVUWZQFOFCMA-MDZDMXLPSA-N
XLogP4.98
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.98
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

(E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7944605
(E)-3-(1-benzofuran-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
CID 110886328
N-[1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)ethylamino]propanamide
CID 112810932
(E)-N-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 9092725
methyl 2-[3-(1-benzofuran-2-yl)prop-2-enoylamino]-3-methylpentanoate
CID 78832923
(E)-3-(1-benzofuran-2-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]prop-2-enamide
CID 60555532
(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide
CID 9365900
methyl 3-(1-benzofuran-2-yl)prop-2-enoate
CID 1479261
(E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 7899703
4-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-oxobut-2-enoic acid
CID 76905495
4-[(E)-3-[1-(1-benzofuran-2-yl)ethylamino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 46556383
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzofuran-2-yl)-N-[1-(3-chlorophenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(1-benzofuran-2-yl)-N-[1-(3-chlorophenyl)ethyl]prop-2-enamide (CID 18283459) is (E)-3-(1-benzofuran-2-yl)-N-[1-(3-chlorophenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-benzofuran-2-yl)-N-[1-(3-chlorophenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-benzofuran-2-yl)-N-[1-(3-chlorophenyl)ethyl]prop-2-enamide is CC(NC(=O)/C=C/c1cc2ccccc2o1)c1cccc(Cl)c1.
What is the InChIKey of (E)-3-(1-benzofuran-2-yl)-N-[1-(3-chlorophenyl)ethyl]prop-2-enamide?
The InChIKey is UUEVUWZQFOFCMA-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H16ClNO2/c1-13(14-6-4-7-16(20)11-14)21-19(22)10-9-17-12-15-5-2-3-8-18(15)23-17/h2-13H,1H3,(H,21,22)/b10-9+.
What are the key properties of (E)-3-(1-benzofuran-2-yl)-N-[1-(3-chlorophenyl)ethyl]prop-2-enamide?
(E)-3-(1-benzofuran-2-yl)-N-[1-(3-chlorophenyl)ethyl]prop-2-enamide has a molecular weight of 325.80 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzofuran-2-yl)-N-[1-(3-chlorophenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 18283459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).