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

C21H18N2O3 — CID 8874178

IUPAC2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)/C=C/c2ccco2)c1
InChIInChI=1S/C21H18N2O3/c1-15-6-4-7-16(14-15)22-21(25)18-9-2-3-10-19(18)23-20(24)12-11-17-8-5-13-26-17/h2-14H,1H3,(H,22,25)(H,23,24)/b12-11+
InChIKeyAQGMGTYJYLABBZ-VAWYXSNFSA-N
MW346.39 g/mol
LogP4.49
Rot. Bonds5

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

2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-methylphenyl)benzamide (PubChem CID 8874178) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-methylphenyl)benzamide
PubChem CID8874178
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)/C=C/c2ccco2)c1
InChIInChI=1S/C21H18N2O3/c1-15-6-4-7-16(14-15)22-21(25)18-9-2-3-10-19(18)23-20(24)12-11-17-8-5-13-26-17/h2-14H,1H3,(H,22,25)(H,23,24)/b12-11+
InChIKeyAQGMGTYJYLABBZ-VAWYXSNFSA-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

2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide
CID 42996288
(E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108744999
2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-(3-methylphenyl)benzamide
CID 76859483
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
3-[3-(furan-2-yl)prop-2-enoylamino]-N-(3-hydroxyphenyl)benzamide
CID 804548
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
2-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)benzamide
CID 29448368
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287
2-bromo-N-(3-methylphenyl)furan-3-carboxamide
CID 106852319
(E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 801873

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-methylphenyl)benzamide (CID 8874178) is 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)/C=C/c2ccco2)c1.
What is the InChIKey of 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-methylphenyl)benzamide?
The InChIKey is AQGMGTYJYLABBZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-15-6-4-7-16(14-15)22-21(25)18-9-2-3-10-19(18)23-20(24)12-11-17-8-5-13-26-17/h2-14H,1H3,(H,22,25)(H,23,24)/b12-11+.
What are the key properties of 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-methylphenyl)benzamide?
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-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 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 8874178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).