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

C21H18N2O3 — CID 782312

IUPACN-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-methylphenyl]benzamide
SMILESCc1cc(NC(=O)/C=C/c2ccco2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C21H18N2O3/c1-15-14-17(22-20(24)12-10-18-8-5-13-26-18)9-11-19(15)23-21(25)16-6-3-2-4-7-16/h2-14H,1H3,(H,22,24)(H,23,25)/b12-10+
InChIKeyYOWTVLCJHXEBBD-ZRDIBKRKSA-N
MW346.39 g/mol
LogP4.49
Rot. Bonds5

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

N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-methylphenyl]benzamide (PubChem CID 782312) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-methylphenyl]benzamide
PubChem CID782312
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-methylphenyl]benzamide
SMILESCc1cc(NC(=O)/C=C/c2ccco2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C21H18N2O3/c1-15-14-17(22-20(24)12-10-18-8-5-13-26-18)9-11-19(15)23-21(25)16-6-3-2-4-7-16/h2-14H,1H3,(H,22,24)(H,23,25)/b12-10+
InChIKeyYOWTVLCJHXEBBD-ZRDIBKRKSA-N
XLogP4.49
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.49
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

Benzamide, N-(4-ethoxyphenyl)-
CID 203878
(E)-N-(2-methyl-4-(o-tolyldiazenyl)phenyl)furan-2-carboxamide
CID 2827423
4-(furan-2-yl)-2-methyl-5-oxo-N-(o-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 11646235
N-{3-[(phenylcarbonyl)amino]phenyl}furan-2-carboxamide
CID 825801
N-(2-methyl-4-{[(4-methylphenoxy)acetyl]amino}phenyl)benzamide
CID 1221794
4-(2-furyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 21716122
O-Tolu-P-phenetidide
CID 710558
(2E)-N-(4-Acetylphenyl)-3-(5-ethyl-2-furyl)acrylamide
CID 7464118
6-[Ethyl(furan-3-ylmethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 23648058
Benzamide, N-(2-amino-5-(3-furanyl)phenyl)-
CID 46830327
N-(2-amino-5-(furan-2-yl)phenyl)benzamide
CID 46830328
N-[3-(benzylcarbamoyl)phenyl]furan-2-carboxamide
CID 1331247

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-methylphenyl]benzamide?
The IUPAC name of N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-methylphenyl]benzamide (CID 782312) is N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-methylphenyl]benzamide.
What is the SMILES notation for N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-methylphenyl]benzamide?
The canonical SMILES for N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-methylphenyl]benzamide is Cc1cc(NC(=O)/C=C/c2ccco2)ccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-methylphenyl]benzamide?
The InChIKey is YOWTVLCJHXEBBD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-15-14-17(22-20(24)12-10-18-8-5-13-26-18)9-11-19(15)23-21(25)16-6-3-2-4-7-16/h2-14H,1H3,(H,22,24)(H,23,25)/b12-10+.
What are the key properties of N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-methylphenyl]benzamide?
N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-methylphenyl]benzamide has a molecular weight of 346.39 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-methylphenyl]benzamide is sourced from PubChem (CID 782312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).