2-amino-N-(2H-benzotriazol-4-yl)benzamide

C13H11N5O — CID 110474353

IUPAC2-amino-N-(2H-benzotriazol-4-yl)benzamide
SMILESNc1ccccc1C(=O)Nc1cccc2n[nH]nc12
InChIInChI=1S/C13H11N5O/c14-9-5-2-1-4-8(9)13(19)15-10-6-3-7-11-12(10)17-18-16-11/h1-7H,14H2,(H,15,19)(H,16,17,18)
InChIKeyCPHPFUHJYBNDKI-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.79
Rot. Bonds2

About 2-amino-N-(2H-benzotriazol-4-yl)benzamide

2-amino-N-(2H-benzotriazol-4-yl)benzamide (PubChem CID 110474353) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-amino-N-(2H-benzotriazol-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2H-benzotriazol-4-yl)benzamide
PubChem CID110474353
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name2-amino-N-(2H-benzotriazol-4-yl)benzamide
SMILESNc1ccccc1C(=O)Nc1cccc2n[nH]nc12
InChIInChI=1S/C13H11N5O/c14-9-5-2-1-4-8(9)13(19)15-10-6-3-7-11-12(10)17-18-16-11/h1-7H,14H2,(H,15,19)(H,16,17,18)
InChIKeyCPHPFUHJYBNDKI-UHFFFAOYSA-N
XLogP1.79
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2H-benzotriazol-4-yl)-2-oxochromene-3-carboxamide
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2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
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N-(2H-benzotriazol-4-yl)pyridine-3-carboxamide
CID 110732146
[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid
CID 69256283
2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid
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N-(2H-benzotriazol-4-yl)-2-cyanoacetamide
CID 110470082
3-amino-N-(2-bromophenyl)-2-hydroxybenzamide
CID 113386337
2-(2H-benzotriazol-4-ylamino)acetic acid
CID 67894224
2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide
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2-amino-N-anthracen-1-ylbenzamide
CID 175805968
CID 6395404
CID 6395404

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2H-benzotriazol-4-yl)benzamide?
The IUPAC name of 2-amino-N-(2H-benzotriazol-4-yl)benzamide (CID 110474353) is 2-amino-N-(2H-benzotriazol-4-yl)benzamide.
What is the SMILES notation for 2-amino-N-(2H-benzotriazol-4-yl)benzamide?
The canonical SMILES for 2-amino-N-(2H-benzotriazol-4-yl)benzamide is Nc1ccccc1C(=O)Nc1cccc2n[nH]nc12.
What is the InChIKey of 2-amino-N-(2H-benzotriazol-4-yl)benzamide?
The InChIKey is CPHPFUHJYBNDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-9-5-2-1-4-8(9)13(19)15-10-6-3-7-11-12(10)17-18-16-11/h1-7H,14H2,(H,15,19)(H,16,17,18).
What are the key properties of 2-amino-N-(2H-benzotriazol-4-yl)benzamide?
2-amino-N-(2H-benzotriazol-4-yl)benzamide has a molecular weight of 253.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2H-benzotriazol-4-yl)benzamide is sourced from PubChem (CID 110474353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).