4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid

C19H15NO3 — CID 44726898

IUPAC4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid
SMILESCN(C(=O)c1ccc2ccccc2c1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C19H15NO3/c1-20(17-10-8-14(9-11-17)19(22)23)18(21)16-7-6-13-4-2-3-5-15(13)12-16/h2-12H,1H3,(H,22,23)
InChIKeyDBKDCNXAJXXQAX-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.81
Rot. Bonds3

About 4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid

4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid (PubChem CID 44726898) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid
PubChem CID44726898
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid
SMILESCN(C(=O)c1ccc2ccccc2c1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C19H15NO3/c1-20(17-10-8-14(9-11-17)19(22)23)18(21)16-7-6-13-4-2-3-5-15(13)12-16/h2-12H,1H3,(H,22,23)
InChIKeyDBKDCNXAJXXQAX-UHFFFAOYSA-N
XLogP3.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267
N-tert-butyl-N-methylnaphthalene-2-carboxamide
CID 90337297
N-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide
CID 61296378
naphthalene-2-carboxylic acid
CID 175967775
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
formaldehyde;naphthalene-2-carboxylic acid
CID 86738660
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534
3,4-dihydroxy-N-methyl-N-phenylbenzamide
CID 113199261
N-methyl-N-naphthalen-2-yl-4-(2-oxopiperidin-1-yl)benzamide
CID 55429642
4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide
CID 26904305
4-[(4-chloro-3-methylbenzoyl)-methylamino]benzoic acid
CID 104698206
4-(methoxymethyl)-N-methyl-N-naphthalen-2-ylbenzamide
CID 51175212

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid (CID 44726898) is 4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid is CN(C(=O)c1ccc2ccccc2c1)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid?
The InChIKey is DBKDCNXAJXXQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-20(17-10-8-14(9-11-17)19(22)23)18(21)16-7-6-13-4-2-3-5-15(13)12-16/h2-12H,1H3,(H,22,23).
What are the key properties of 4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid?
4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid has a molecular weight of 305.33 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 44726898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).