N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide

C17H16N2O3 — CID 166403508

IUPACN-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C17H16N2O3/c1-3-16(20)18-13-10-8-12(9-11-13)17(21)19-14-6-4-5-7-15(14)22-2/h3-11H,1H2,2H3,(H,18,20)(H,19,21)
InChIKeyGCVHJFSSJJNYPB-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.07
Rot. Bonds5

About N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide

N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide (PubChem CID 166403508) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
PubChem CID166403508
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C17H16N2O3/c1-3-16(20)18-13-10-8-12(9-11-13)17(21)19-14-6-4-5-7-15(14)22-2/h3-11H,1H2,2H3,(H,18,20)(H,19,21)
InChIKeyGCVHJFSSJJNYPB-UHFFFAOYSA-N
XLogP3.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.07
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

4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
N-(2-methoxyphenyl)-4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzamide
CID 9083670
N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403507
N-(2-methoxyphenyl)-4-sulfanylbenzamide
CID 107019826
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
4-[[2-(2-methoxyethoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 43037458
N-(2-methoxyphenyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 9244896
4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798117
4-[[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798118
5-acetyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9083677
N-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 7998968

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide (CID 166403508) is N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide?
The InChIKey is GCVHJFSSJJNYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-3-16(20)18-13-10-8-12(9-11-13)17(21)19-14-6-4-5-7-15(14)22-2/h3-11H,1H2,2H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide?
N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide has a molecular weight of 296.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 166403508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).