3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid

C20H16BrNO5 — CID 28668842

IUPAC3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)c1cc2ccccc2c(Br)c1OC
InChIInChI=1S/C20H16BrNO5/c1-26-16-8-7-12(20(24)25)10-15(16)22-19(23)14-9-11-5-3-4-6-13(11)17(21)18(14)27-2/h3-10H,1-2H3,(H,22,23)(H,24,25)
InChIKeyIGXWGRXXBCOYQS-UHFFFAOYSA-N
MW430.25 g/mol
LogP4.57
Rot. Bonds5

About 3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid

3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid (PubChem CID 28668842) has the molecular formula C20H16BrNO5 and a molecular weight of 430.25 g/mol. Its IUPAC name is 3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid
PubChem CID28668842
Molecular FormulaC20H16BrNO5
Molecular Weight430.25 g/mol
Exact Mass429.02
IUPAC Name3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)c1cc2ccccc2c(Br)c1OC
InChIInChI=1S/C20H16BrNO5/c1-26-16-8-7-12(20(24)25)10-15(16)22-19(23)14-9-11-5-3-4-6-13(11)17(21)18(14)27-2/h3-10H,1-2H3,(H,22,23)(H,24,25)
InChIKeyIGXWGRXXBCOYQS-UHFFFAOYSA-N
XLogP4.57
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.25
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 28668454
4-bromo-N-(2,4-dimethoxyphenyl)-3-methoxynaphthalene-2-carboxamide
CID 2235743
4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide
CID 17111249
methyl 4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 1258829
4-bromo-N-(4-iodo-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 17117485
methyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 17091850
4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 53269765
2-[(4-bromo-3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoic acid
CID 17103881
4-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 95733480
4-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 50882559
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide
CID 17116598
N-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-2-methoxyphenyl]furan-2-carboxamide
CID 17117544

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid?
The IUPAC name of 3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid (CID 28668842) is 3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid?
The canonical SMILES for 3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1NC(=O)c1cc2ccccc2c(Br)c1OC.
What is the InChIKey of 3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid?
The InChIKey is IGXWGRXXBCOYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO5/c1-26-16-8-7-12(20(24)25)10-15(16)22-19(23)14-9-11-5-3-4-6-13(11)17(21)18(14)27-2/h3-10H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid?
3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid has a molecular weight of 430.25 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid is sourced from PubChem (CID 28668842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).