N-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide

C17H12BrNO2 — CID 86575073

IUPACN-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C17H12BrNO2/c18-12-6-8-13(9-7-12)19-17(21)16-14-4-2-1-3-11(14)5-10-15(16)20/h1-10,20H,(H,19,21)
InChIKeyPPXBHBSSVMWAJE-UHFFFAOYSA-N
MW342.19 g/mol
LogP4.56
Rot. Bonds2

About N-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide

N-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide (PubChem CID 86575073) has the molecular formula C17H12BrNO2 and a molecular weight of 342.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide
PubChem CID86575073
Molecular FormulaC17H12BrNO2
Molecular Weight342.19 g/mol
Exact Mass341.01
IUPAC NameN-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C17H12BrNO2/c18-12-6-8-13(9-7-12)19-17(21)16-14-4-2-1-3-11(14)5-10-15(16)20/h1-10,20H,(H,19,21)
InChIKeyPPXBHBSSVMWAJE-UHFFFAOYSA-N
XLogP4.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-(3-methylphenyl)naphthalene-1-carboxamide
CID 86575396
N-(3-chlorophenyl)-2-hydroxynaphthalene-1-carboxamide
CID 19022893
4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide
CID 1215843
1-(4-ethoxyphenyl)-3-[(2-hydroxynaphthalene-1-carbonyl)amino]urea
CID 59321650
bis(2-hydroxynaphthalen-1-yl)methanone
CID 68928260
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
2-hydroxyphenanthrene-1-carbohydrazide
CID 87840739
N-(4-bromophenyl)quinoline-2-carboxamide
CID 5112006
N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55959917
(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430357
1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea
CID 24819542
N-(4-methoxyphenyl)anthracene-9-carboxamide
CID 86045651

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide (CID 86575073) is N-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide is O=C(Nc1ccc(Br)cc1)c1c(O)ccc2ccccc12.
What is the InChIKey of N-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide?
The InChIKey is PPXBHBSSVMWAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO2/c18-12-6-8-13(9-7-12)19-17(21)16-14-4-2-1-3-11(14)5-10-15(16)20/h1-10,20H,(H,19,21).
What are the key properties of N-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide?
N-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide has a molecular weight of 342.19 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide is sourced from PubChem (CID 86575073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).