N-(2-amino-5-phenylphenyl)-4-azidobenzamide

C19H15N5O — CID 62706003

IUPACN-(2-amino-5-phenylphenyl)-4-azidobenzamide
SMILES[N-]=[N+]=Nc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C19H15N5O/c20-17-11-8-15(13-4-2-1-3-5-13)12-18(17)22-19(25)14-6-9-16(10-7-14)23-24-21/h1-12H,20H2,(H,22,25)
InChIKeyNIWPBUGERDCHNM-UHFFFAOYSA-N
MW329.36 g/mol
LogP5.13
Rot. Bonds4

About N-(2-amino-5-phenylphenyl)-4-azidobenzamide

N-(2-amino-5-phenylphenyl)-4-azidobenzamide (PubChem CID 62706003) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-azidobenzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-azidobenzamide
PubChem CID62706003
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC NameN-(2-amino-5-phenylphenyl)-4-azidobenzamide
SMILES[N-]=[N+]=Nc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C19H15N5O/c20-17-11-8-15(13-4-2-1-3-5-13)12-18(17)22-19(25)14-6-9-16(10-7-14)23-24-21/h1-12H,20H2,(H,22,25)
InChIKeyNIWPBUGERDCHNM-UHFFFAOYSA-N
XLogP5.13
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.36
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', '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-(3-oxo-4-phenylbutyl)benzamide
CID 59627328
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
N-[2-amino-5-(4-ethenylphenyl)phenyl]benzamide
CID 46887334
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
N-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide
CID 59737305
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate
CID 91362734
[1-[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]-1-fluoroethyl]-ethoxyphosphinic acid
CID 87354168

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-4-azidobenzamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-azidobenzamide (CID 62706003) is N-(2-amino-5-phenylphenyl)-4-azidobenzamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-azidobenzamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-azidobenzamide is [N-]=[N+]=Nc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-azidobenzamide?
The InChIKey is NIWPBUGERDCHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c20-17-11-8-15(13-4-2-1-3-5-13)12-18(17)22-19(25)14-6-9-16(10-7-14)23-24-21/h1-12H,20H2,(H,22,25).
What are the key properties of N-(2-amino-5-phenylphenyl)-4-azidobenzamide?
N-(2-amino-5-phenylphenyl)-4-azidobenzamide has a molecular weight of 329.36 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-4-azidobenzamide is sourced from PubChem (CID 62706003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).