N-(4-bromophenyl)-6-hydroxynaphthalene-2-carboxamide

C17H12BrNO2 — CID 118728727

IUPACN-(4-bromophenyl)-6-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C17H12BrNO2/c18-14-4-6-15(7-5-14)19-17(21)13-2-1-12-10-16(20)8-3-11(12)9-13/h1-10,20H,(H,19,21)
InChIKeyAYIQVIFTOMAYDY-UHFFFAOYSA-N
MW342.19 g/mol
LogP4.56
Rot. Bonds2

About N-(4-bromophenyl)-6-hydroxynaphthalene-2-carboxamide

N-(4-bromophenyl)-6-hydroxynaphthalene-2-carboxamide (PubChem CID 118728727) has the molecular formula C17H12BrNO2 and a molecular weight of 342.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-hydroxynaphthalene-2-carboxamide
PubChem CID118728727
Molecular FormulaC17H12BrNO2
Molecular Weight342.19 g/mol
Exact Mass341.01
IUPAC NameN-(4-bromophenyl)-6-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C17H12BrNO2/c18-14-4-6-15(7-5-14)19-17(21)13-2-1-12-10-16(20)8-3-11(12)9-13/h1-10,20H,(H,19,21)
InChIKeyAYIQVIFTOMAYDY-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

[4-[[3-[4-[(6-hydroxynaphthalene-2-carbonyl)amino]phenoxy]carbonylbenzoyl]amino]phenyl] 6-hydroxynaphthalene-2-carboxylate
CID 58445021
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-[(4-bromophenyl)carbamoyl]naphthalene-2-carboxamide
CID 980589
N-[3-chloro-4-(phenylcarbamoyl)phenyl]-6-hydroxynaphthalene-2-carboxamide
CID 54510181
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide
CID 174421844
N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide
CID 21211970
4-bromo-N-(3-bromo-4-hydroxyphenyl)benzamide
CID 3482679
N-(4-bromophenyl)-5-hydroxypyridine-3-carboxamide
CID 63851687
N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide
CID 29261071
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
4-bromo-N-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 42767148

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-6-hydroxynaphthalene-2-carboxamide (CID 118728727) is N-(4-bromophenyl)-6-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-6-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-6-hydroxynaphthalene-2-carboxamide is O=C(Nc1ccc(Br)cc1)c1ccc2cc(O)ccc2c1.
What is the InChIKey of N-(4-bromophenyl)-6-hydroxynaphthalene-2-carboxamide?
The InChIKey is AYIQVIFTOMAYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO2/c18-14-4-6-15(7-5-14)19-17(21)13-2-1-12-10-16(20)8-3-11(12)9-13/h1-10,20H,(H,19,21).
What are the key properties of N-(4-bromophenyl)-6-hydroxynaphthalene-2-carboxamide?
N-(4-bromophenyl)-6-hydroxynaphthalene-2-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)-6-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 118728727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).