3-chloro-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]benzamide

C20H15ClN2O3 — CID 1007741

IUPAC3-chloro-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]benzamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H15ClN2O3/c21-15-4-1-3-14(13-15)20(25)23-17-8-6-16(7-9-17)22-19(24)11-10-18-5-2-12-26-18/h1-13H,(H,22,24)(H,23,25)/b11-10+
InChIKeyLSZUZYLFMKSGSQ-ZHACJKMWSA-N
MW366.80 g/mol
LogP4.84
Rot. Bonds5

About 3-chloro-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]benzamide

3-chloro-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]benzamide (PubChem CID 1007741) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is 3-chloro-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]benzamide
PubChem CID1007741
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC Name3-chloro-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]benzamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H15ClN2O3/c21-15-4-1-3-14(13-15)20(25)23-17-8-6-16(7-9-17)22-19(24)11-10-18-5-2-12-26-18/h1-13H,(H,22,24)(H,23,25)/b11-10+
InChIKeyLSZUZYLFMKSGSQ-ZHACJKMWSA-N
XLogP4.84
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(furan-2-yl)prop-2-enoylamino]-N-(3-hydroxyphenyl)benzamide
CID 804548
N-[[(3-chlorobenzoyl)amino]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 4510328
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
(E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 802779
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838
N-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide
CID 1292346
methyl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 2303057
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809
N-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide
CID 1343643
3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
CID 25219116

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]benzamide (CID 1007741) is 3-chloro-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]benzamide is O=C(/C=C/c1ccco1)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]benzamide?
The InChIKey is LSZUZYLFMKSGSQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c21-15-4-1-3-14(13-15)20(25)23-17-8-6-16(7-9-17)22-19(24)11-10-18-5-2-12-26-18/h1-13H,(H,22,24)(H,23,25)/b11-10+.
What are the key properties of 3-chloro-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]benzamide?
3-chloro-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]benzamide has a molecular weight of 366.80 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]benzamide is sourced from PubChem (CID 1007741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).