N-[2-amino-5-(4-ethenylphenyl)phenyl]benzamide

C21H18N2O — CID 46887334

IUPACN-[2-amino-5-(4-ethenylphenyl)phenyl]benzamide
SMILESC=Cc1ccc(-c2ccc(N)c(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C21H18N2O/c1-2-15-8-10-16(11-9-15)18-12-13-19(22)20(14-18)23-21(24)17-6-4-3-5-7-17/h2-14H,1,22H2,(H,23,24)
InChIKeyGUBGWFHGNFMNFP-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.83
Rot. Bonds4

About N-[2-amino-5-(4-ethenylphenyl)phenyl]benzamide

N-[2-amino-5-(4-ethenylphenyl)phenyl]benzamide (PubChem CID 46887334) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-amino-5-(4-ethenylphenyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-ethenylphenyl)phenyl]benzamide
PubChem CID46887334
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC NameN-[2-amino-5-(4-ethenylphenyl)phenyl]benzamide
SMILESC=Cc1ccc(-c2ccc(N)c(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C21H18N2O/c1-2-15-8-10-16(11-9-15)18-12-13-19(22)20(14-18)23-21(24)17-6-4-3-5-7-17/h2-14H,1,22H2,(H,23,24)
InChIKeyGUBGWFHGNFMNFP-UHFFFAOYSA-N
XLogP4.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid
CID 69002653
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746
N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
CID 66894745
N-(2-amino-5-phenylphenyl)-4-azidobenzamide
CID 62706003
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide
CID 25013304
N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide
CID 59627328
methyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25032862
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide
CID 25158263
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide
CID 25156529
4-ethenyl-N-(2-methylphenyl)benzamide
CID 12541509
N-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide
CID 59737305

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-ethenylphenyl)phenyl]benzamide?
The IUPAC name of N-[2-amino-5-(4-ethenylphenyl)phenyl]benzamide (CID 46887334) is N-[2-amino-5-(4-ethenylphenyl)phenyl]benzamide.
What is the SMILES notation for N-[2-amino-5-(4-ethenylphenyl)phenyl]benzamide?
The canonical SMILES for N-[2-amino-5-(4-ethenylphenyl)phenyl]benzamide is C=Cc1ccc(-c2ccc(N)c(NC(=O)c3ccccc3)c2)cc1.
What is the InChIKey of N-[2-amino-5-(4-ethenylphenyl)phenyl]benzamide?
The InChIKey is GUBGWFHGNFMNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-2-15-8-10-16(11-9-15)18-12-13-19(22)20(14-18)23-21(24)17-6-4-3-5-7-17/h2-14H,1,22H2,(H,23,24).
What are the key properties of N-[2-amino-5-(4-ethenylphenyl)phenyl]benzamide?
N-[2-amino-5-(4-ethenylphenyl)phenyl]benzamide has a molecular weight of 314.39 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-ethenylphenyl)phenyl]benzamide is sourced from PubChem (CID 46887334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).