N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen

C14H14N4O2 — CID 174994775

IUPACN-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
SMILESCOc1ccc(NC(=O)c2ccccc2)cc1N.N#N
InChIInChI=1S/C14H14N2O2.N2/c1-18-13-8-7-11(9-12(13)15)16-14(17)10-5-3-2-4-6-10;1-2/h2-9H,15H2,1H3,(H,16,17);
InChIKeyAFXUWVCQFWRYHV-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.56
Rot. Bonds3

About N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen

N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen (PubChem CID 174994775) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
PubChem CID174994775
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
SMILESCOc1ccc(NC(=O)c2ccccc2)cc1N.N#N
InChIInChI=1S/C14H14N2O2.N2/c1-18-13-8-7-11(9-12(13)15)16-14(17)10-5-3-2-4-6-10;1-2/h2-9H,15H2,1H3,(H,16,17);
InChIKeyAFXUWVCQFWRYHV-UHFFFAOYSA-N
XLogP2.56
TPSA111.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814
N-(3-amino-4-methoxyphenyl)-3-iodobenzamide
CID 43599948
N-(3-amino-4-methoxyphenyl)-4-ethylbenzamide
CID 43599944
N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide
CID 107971090
N-(3-amino-4-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63186712
N-(3-amino-4-methoxyphenyl)-2-chlorobenzamide
CID 23464385
methyl 2-amino-4-benzamidobenzoate
CID 23466425
N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide
CID 43599838
N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide
CID 50878655
N-(3-amino-4-methoxyphenyl)-5-hydroxypyridine-3-carboxamide
CID 63851714

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen?
The IUPAC name of N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen (CID 174994775) is N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen is COc1ccc(NC(=O)c2ccccc2)cc1N.N#N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen?
The InChIKey is AFXUWVCQFWRYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2.N2/c1-18-13-8-7-11(9-12(13)15)16-14(17)10-5-3-2-4-6-10;1-2/h2-9H,15H2,1H3,(H,16,17);.
What are the key properties of N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen?
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen has a molecular weight of 270.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen is sourced from PubChem (CID 174994775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).