ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid

C21H21NO3 — CID 143144416

IUPACethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid
SMILESCC.Cc1ccc(NC(=O)c2cccc3ccccc23)c(C(=O)O)c1
InChIInChI=1S/C19H15NO3.C2H6/c1-12-9-10-17(16(11-12)19(22)23)20-18(21)15-8-4-6-13-5-2-3-7-14(13)15;1-2/h2-11H,1H3,(H,20,21)(H,22,23);1-2H3
InChIKeyGCZHMFIADRVNAL-UHFFFAOYSA-N
MW335.40 g/mol
LogP5.12
Rot. Bonds3

About ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid

ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid (PubChem CID 143144416) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid.

Molecular Properties

Compound Nameethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid
PubChem CID143144416
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Nameethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid
SMILESCC.Cc1ccc(NC(=O)c2cccc3ccccc23)c(C(=O)O)c1
InChIInChI=1S/C19H15NO3.C2H6/c1-12-9-10-17(16(11-12)19(22)23)20-18(21)15-8-4-6-13-5-2-3-7-14(13)15;1-2/h2-11H,1H3,(H,20,21)(H,22,23);1-2H3
InChIKeyGCZHMFIADRVNAL-UHFFFAOYSA-N
XLogP5.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.40
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid
CID 10090515
N-(2-amino-4-methylphenyl)naphthalene-1-carboxamide
CID 43259068
N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 1278696
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide
CID 66596351
2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid
CID 24700759
N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide
CID 60534076
2-[(2-amino-3-bromobenzoyl)amino]-5-methylbenzoic acid
CID 110451428
N-[2-methyl-4-[[3-methyl-4-(naphthalene-1-carbonylamino)phenyl]methyl]phenyl]naphthalene-1-carboxamide
CID 2179862
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid
CID 107702371
2-(naphthalen-1-ylcarbamoyl)benzoic acid
CID 67617466

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid?
The IUPAC name of ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid (CID 143144416) is ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid.
What is the SMILES notation for ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid?
The canonical SMILES for ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid is CC.Cc1ccc(NC(=O)c2cccc3ccccc23)c(C(=O)O)c1.
What is the InChIKey of ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid?
The InChIKey is GCZHMFIADRVNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3.C2H6/c1-12-9-10-17(16(11-12)19(22)23)20-18(21)15-8-4-6-13-5-2-3-7-14(13)15;1-2/h2-11H,1H3,(H,20,21)(H,22,23);1-2H3.
What are the key properties of ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid?
ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid has a molecular weight of 335.40 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid is sourced from PubChem (CID 143144416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).