2-amino-N-[(2-bromophenyl)carbamoyl]benzamide

C14H12BrN3O2 — CID 108868802

IUPAC2-amino-N-[(2-bromophenyl)carbamoyl]benzamide
SMILESNc1ccccc1C(=O)NC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H12BrN3O2/c15-10-6-2-4-8-12(10)17-14(20)18-13(19)9-5-1-3-7-11(9)16/h1-8H,16H2,(H2,17,18,19,20)
InChIKeyHRKAGUVKWWJFGL-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.99
Rot. Bonds2

About 2-amino-N-[(2-bromophenyl)carbamoyl]benzamide

2-amino-N-[(2-bromophenyl)carbamoyl]benzamide (PubChem CID 108868802) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 2-amino-N-[(2-bromophenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[(2-bromophenyl)carbamoyl]benzamide
PubChem CID108868802
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name2-amino-N-[(2-bromophenyl)carbamoyl]benzamide
SMILESNc1ccccc1C(=O)NC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H12BrN3O2/c15-10-6-2-4-8-12(10)17-14(20)18-13(19)9-5-1-3-7-11(9)16/h1-8H,16H2,(H2,17,18,19,20)
InChIKeyHRKAGUVKWWJFGL-UHFFFAOYSA-N
XLogP2.99
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-bromophenyl)-2-hydroxybenzamide
CID 113386337
1-(2-bromophenyl)-3-prop-1-en-2-ylurea
CID 108910399
3-amino-N-(2-bromophenyl)naphthalene-2-carboxamide
CID 61209348
3-[(2-bromophenyl)carbamoylamino]-2-hydroxybenzamide
CID 10383212
[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid
CID 69256283
2-amino-N-(2-bromo-5-chlorophenyl)benzamide
CID 81263172
2-amino-N-(2-bromo-4-chlorophenyl)benzamide
CID 81262559
2-amino-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 108869162
2-amino-N-[(3,4,5-trimethoxyphenyl)carbamoyl]benzamide
CID 108866717
(2-bromophenyl)carbamic acid
CID 15021878
2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
CID 71601154
2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43402957

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-bromophenyl)carbamoyl]benzamide?
The IUPAC name of 2-amino-N-[(2-bromophenyl)carbamoyl]benzamide (CID 108868802) is 2-amino-N-[(2-bromophenyl)carbamoyl]benzamide.
What is the SMILES notation for 2-amino-N-[(2-bromophenyl)carbamoyl]benzamide?
The canonical SMILES for 2-amino-N-[(2-bromophenyl)carbamoyl]benzamide is Nc1ccccc1C(=O)NC(=O)Nc1ccccc1Br.
What is the InChIKey of 2-amino-N-[(2-bromophenyl)carbamoyl]benzamide?
The InChIKey is HRKAGUVKWWJFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c15-10-6-2-4-8-12(10)17-14(20)18-13(19)9-5-1-3-7-11(9)16/h1-8H,16H2,(H2,17,18,19,20).
What are the key properties of 2-amino-N-[(2-bromophenyl)carbamoyl]benzamide?
2-amino-N-[(2-bromophenyl)carbamoyl]benzamide has a molecular weight of 334.17 g/mol, XLogP of 2.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-bromophenyl)carbamoyl]benzamide is sourced from PubChem (CID 108868802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).