N-methyl-3-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]benzamide

C23H20N2O2 — CID 38924103

IUPACN-methyl-3-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)/C=C/c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C23H20N2O2/c1-24-23(27)20-11-6-12-21(16-20)25-22(26)14-13-17-7-5-10-19(15-17)18-8-3-2-4-9-18/h2-16H,1H3,(H,24,27)(H,25,26)/b14-13+
InChIKeyYCQUTPSPYLHXTG-BUHFOSPRSA-N
MW356.43 g/mol
LogP4.37
Rot. Bonds5

About N-methyl-3-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]benzamide

N-methyl-3-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]benzamide (PubChem CID 38924103) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-methyl-3-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]benzamide
PubChem CID38924103
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC NameN-methyl-3-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)/C=C/c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C23H20N2O2/c1-24-23(27)20-11-6-12-21(16-20)25-22(26)14-13-17-7-5-10-19(15-17)18-8-3-2-4-9-18/h2-16H,1H3,(H,24,27)(H,25,26)/b14-13+
InChIKeyYCQUTPSPYLHXTG-BUHFOSPRSA-N
XLogP4.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(E)-3-[3-(methylcarbamoyl)anilino]-3-oxoprop-1-enyl]benzoate
CID 31524849
(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
CID 5286756
methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]benzoate
CID 732141
4-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-N-methylbenzamide
CID 24635591
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
N-(3-chloro-4-fluorophenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 26166587
3-[[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 11962227
3-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,2,4-triazol-4-yl)benzamide
CID 21369505
3-[[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]amino]-N-methylbenzamide
CID 55510509
3-(3-bromophenyl)-N-phenylprop-2-enamide
CID 73014355
N-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide
CID 73388672
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide
CID 23557298

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]benzamide (CID 38924103) is N-methyl-3-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)/C=C/c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of N-methyl-3-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is YCQUTPSPYLHXTG-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-24-23(27)20-11-6-12-21(16-20)25-22(26)14-13-17-7-5-10-19(15-17)18-8-3-2-4-9-18/h2-16H,1H3,(H,24,27)(H,25,26)/b14-13+.
What are the key properties of N-methyl-3-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]benzamide?
N-methyl-3-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 356.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 38924103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).