3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid

C19H15NO3 — CID 16773490

IUPAC3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc3ccccc3cc2C(=O)O)cc1
InChIInChI=1S/C19H15NO3/c1-12-6-8-13(9-7-12)18(21)20-17-11-15-5-3-2-4-14(15)10-16(17)19(22)23/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyPLSHNIDJBIKWLF-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.10
Rot. Bonds3

About 3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid

3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid (PubChem CID 16773490) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid
PubChem CID16773490
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc3ccccc3cc2C(=O)O)cc1
InChIInChI=1S/C19H15NO3/c1-12-6-8-13(9-7-12)18(21)20-17-11-15-5-3-2-4-14(15)10-16(17)19(22)23/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyPLSHNIDJBIKWLF-UHFFFAOYSA-N
XLogP4.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 161042789
3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid
CID 99644527
3-(methylcarbamoylamino)naphthalene-2-carboxylic acid
CID 61189207
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
3-[[3-(chloromethyl)benzoyl]amino]naphthalene-2-carboxylic acid
CID 23107838
anthracene;4-methylbenzoic acid
CID 175030135
3,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 1296278
3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid
CID 75513355
N-(2-benzoyl-5-methoxyphenyl)-4-methylbenzamide
CID 139696912
2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid
CID 107702371
2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid
CID 24700759
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid?
The IUPAC name of 3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid (CID 16773490) is 3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid?
The canonical SMILES for 3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid is Cc1ccc(C(=O)Nc2cc3ccccc3cc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid?
The InChIKey is PLSHNIDJBIKWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-12-6-8-13(9-7-12)18(21)20-17-11-15-5-3-2-4-14(15)10-16(17)19(22)23/h2-11H,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid?
3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid is sourced from PubChem (CID 16773490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).