5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid

C18H12BrNO3 — CID 10090515

IUPAC5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H12BrNO3/c19-12-8-9-16(15(10-12)18(22)23)20-17(21)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,20,21)(H,22,23)
InChIKeyGTDLRNGSCHQUES-UHFFFAOYSA-N
MW370.20 g/mol
LogP4.55
Rot. Bonds3

About 5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid

5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid (PubChem CID 10090515) has the molecular formula C18H12BrNO3 and a molecular weight of 370.20 g/mol. Its IUPAC name is 5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid
PubChem CID10090515
Molecular FormulaC18H12BrNO3
Molecular Weight370.20 g/mol
Exact Mass369.00
IUPAC Name5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H12BrNO3/c19-12-8-9-16(15(10-12)18(22)23)20-17(21)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,20,21)(H,22,23)
InChIKeyGTDLRNGSCHQUES-UHFFFAOYSA-N
XLogP4.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.20
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid
CID 143144416
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5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid
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5-bromo-2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]benzoic acid
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2-(naphthalen-1-ylcarbamoyl)benzoic acid
CID 67617466
5-bromo-2-(carbamoylamino)benzoic acid
CID 54593537
N-(2-amino-4-hydroxyphenyl)naphthalene-1-carboxamide
CID 107697510
N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-carboxamide
CID 64795170
N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide
CID 2179861
4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid
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CID 79721511

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid?
The IUPAC name of 5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid (CID 10090515) is 5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid.
What is the SMILES notation for 5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid?
The canonical SMILES for 5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid is O=C(O)c1cc(Br)ccc1NC(=O)c1cccc2ccccc12.
What is the InChIKey of 5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid?
The InChIKey is GTDLRNGSCHQUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrNO3/c19-12-8-9-16(15(10-12)18(22)23)20-17(21)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,20,21)(H,22,23).
What are the key properties of 5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid?
5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid has a molecular weight of 370.20 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid is sourced from PubChem (CID 10090515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).