N-(4-aminophenyl)cyclohexa-1,5-diene-1-carboxamide

C13H14N2O — CID 144544332

IUPACN-(4-aminophenyl)cyclohexa-1,5-diene-1-carboxamide
SMILESNc1ccc(NC(=O)C2=CCCC=C2)cc1
InChIInChI=1S/C13H14N2O/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h2,4-9H,1,3,14H2,(H,15,16)
InChIKeyWSBJMWRALRRJLM-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.48
Rot. Bonds2

About N-(4-aminophenyl)cyclohexa-1,5-diene-1-carboxamide

N-(4-aminophenyl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 144544332) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N-(4-aminophenyl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID144544332
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN-(4-aminophenyl)cyclohexa-1,5-diene-1-carboxamide
SMILESNc1ccc(NC(=O)C2=CCCC=C2)cc1
InChIInChI=1S/C13H14N2O/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h2,4-9H,1,3,14H2,(H,15,16)
InChIKeyWSBJMWRALRRJLM-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.48
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'}

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Related Compounds

N-(4-ethylphenyl)cyclohexa-1,5-diene-1-carboxamide
CID 145350320
N-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]pyridine-4-carboxamide
CID 170596427
N-(4-aminophenyl)-2,6-dihydroxybenzamide
CID 107687533
N-(4-aminophenyl)-2-chloroacetamide
CID 17325387
1-(4-aminophenyl)-3-(4-bromophenyl)urea
CID 43469017
N-(4-aminophenyl)-4-ethenylbenzamide
CID 13082944
2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide
CID 141400871
4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 119738238
5-N-cyclohexa-1,5-dien-1-yl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide
CID 144544325
N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane
CID 144512975
4-amino-N-(4-aminophenyl)-2-hydroxybenzamide
CID 18931495

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-(4-aminophenyl)cyclohexa-1,5-diene-1-carboxamide (CID 144544332) is N-(4-aminophenyl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-(4-aminophenyl)cyclohexa-1,5-diene-1-carboxamide is Nc1ccc(NC(=O)C2=CCCC=C2)cc1.
What is the InChIKey of N-(4-aminophenyl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is WSBJMWRALRRJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h2,4-9H,1,3,14H2,(H,15,16).
What are the key properties of N-(4-aminophenyl)cyclohexa-1,5-diene-1-carboxamide?
N-(4-aminophenyl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 214.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 144544332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).