N-(4-aminophenyl)benzamide;ethane;ethene

C19H28N2O — CID 144544387

IUPACN-(4-aminophenyl)benzamide;ethane;ethene
SMILESC=C.CC.CC.Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C13H12N2O.2C2H6.C2H4/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10;3*1-2/h1-9H,14H2,(H,15,16);2*1-2H3;1-2H2
InChIKeyPAUYGXCZRYXVNP-UHFFFAOYSA-N
MW300.45 g/mol
LogP5.38
Rot. Bonds2

About N-(4-aminophenyl)benzamide;ethane;ethene

N-(4-aminophenyl)benzamide;ethane;ethene (PubChem CID 144544387) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-(4-aminophenyl)benzamide;ethane;ethene.

Molecular Properties

Compound NameN-(4-aminophenyl)benzamide;ethane;ethene
PubChem CID144544387
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-(4-aminophenyl)benzamide;ethane;ethene
SMILESC=C.CC.CC.Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C13H12N2O.2C2H6.C2H4/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10;3*1-2/h1-9H,14H2,(H,15,16);2*1-2H3;1-2H2
InChIKeyPAUYGXCZRYXVNP-UHFFFAOYSA-N
XLogP5.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
(4-benzamidophenyl)carbamic acid
CID 18543096
3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 158719298
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
molecular hydrogen;N-phenylbenzamide
CID 145238042
ethane;N-(4-isocyanophenyl)benzamide
CID 91305596
N-(4-aminophenyl)-4-ethenylbenzamide
CID 13082944
4-amino-N-(4-aminophenyl)benzamide;aniline;4-(4,4-diaminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-diene-1,1-diamine
CID 161339761
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
N-(4-ethylphenyl)benzamide
CID 774063
4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
N-[4-(ethylamino)phenyl]benzamide
CID 71038629

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)benzamide;ethane;ethene?
The IUPAC name of N-(4-aminophenyl)benzamide;ethane;ethene (CID 144544387) is N-(4-aminophenyl)benzamide;ethane;ethene.
What is the SMILES notation for N-(4-aminophenyl)benzamide;ethane;ethene?
The canonical SMILES for N-(4-aminophenyl)benzamide;ethane;ethene is C=C.CC.CC.Nc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-aminophenyl)benzamide;ethane;ethene?
The InChIKey is PAUYGXCZRYXVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O.2C2H6.C2H4/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10;3*1-2/h1-9H,14H2,(H,15,16);2*1-2H3;1-2H2.
What are the key properties of N-(4-aminophenyl)benzamide;ethane;ethene?
N-(4-aminophenyl)benzamide;ethane;ethene has a molecular weight of 300.45 g/mol, XLogP of 5.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)benzamide;ethane;ethene is sourced from PubChem (CID 144544387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).