3-amino-N-(2-bromophenyl)naphthalene-2-carboxamide

C17H13BrN2O — CID 61209348

IUPAC3-amino-N-(2-bromophenyl)naphthalene-2-carboxamide
SMILESNc1cc2ccccc2cc1C(=O)Nc1ccccc1Br
InChIInChI=1S/C17H13BrN2O/c18-14-7-3-4-8-16(14)20-17(21)13-9-11-5-1-2-6-12(11)10-15(13)19/h1-10H,19H2,(H,20,21)
InChIKeyQVTKTOYOJJLGJN-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.44
Rot. Bonds2

About 3-amino-N-(2-bromophenyl)naphthalene-2-carboxamide

3-amino-N-(2-bromophenyl)naphthalene-2-carboxamide (PubChem CID 61209348) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 3-amino-N-(2-bromophenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-bromophenyl)naphthalene-2-carboxamide
PubChem CID61209348
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name3-amino-N-(2-bromophenyl)naphthalene-2-carboxamide
SMILESNc1cc2ccccc2cc1C(=O)Nc1ccccc1Br
InChIInChI=1S/C17H13BrN2O/c18-14-7-3-4-8-16(14)20-17(21)13-9-11-5-1-2-6-12(11)10-15(13)19/h1-10H,19H2,(H,20,21)
InChIKeyQVTKTOYOJJLGJN-UHFFFAOYSA-N
XLogP4.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
2,5-dibromo-N-(2-bromophenyl)benzamide
CID 57379653
4-amino-N-(2-bromophenyl)-3-iodobenzamide
CID 112750750
2-amino-N-anthracen-1-ylbenzamide
CID 175805968
3,5-dibromo-N-(2-bromophenyl)-2-iodobenzamide
CID 3465386
2-amino-N-[(2-bromophenyl)carbamoyl]benzamide
CID 108868802
3-amino-N-(3-hydroxy-2-pyridinyl)naphthalene-2-carboxamide
CID 115597396
3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide
CID 61207819
4-amino-N-(2-bromophenyl)quinoline-2-carboxamide
CID 63375071
N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 33142040
N-(2-bromophenyl)quinoline-8-carboxamide
CID 60651885
3,5-dibromo-N-(2-bromophenyl)benzamide
CID 107972328

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromophenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-(2-bromophenyl)naphthalene-2-carboxamide (CID 61209348) is 3-amino-N-(2-bromophenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-bromophenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-bromophenyl)naphthalene-2-carboxamide is Nc1cc2ccccc2cc1C(=O)Nc1ccccc1Br.
What is the InChIKey of 3-amino-N-(2-bromophenyl)naphthalene-2-carboxamide?
The InChIKey is QVTKTOYOJJLGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c18-14-7-3-4-8-16(14)20-17(21)13-9-11-5-1-2-6-12(11)10-15(13)19/h1-10H,19H2,(H,20,21).
What are the key properties of 3-amino-N-(2-bromophenyl)naphthalene-2-carboxamide?
3-amino-N-(2-bromophenyl)naphthalene-2-carboxamide has a molecular weight of 341.21 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromophenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 61209348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).