4-[(naphthalene-2-carbonylamino)methyl]benzoic acid

C19H15NO3 — CID 17171920

IUPAC4-[(naphthalene-2-carbonylamino)methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H15NO3/c21-18(17-10-9-14-3-1-2-4-16(14)11-17)20-12-13-5-7-15(8-6-13)19(22)23/h1-11H,12H2,(H,20,21)(H,22,23)
InChIKeyDJLTYYCIGWOEDE-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.47
Rot. Bonds4

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

4-[(naphthalene-2-carbonylamino)methyl]benzoic acid (PubChem CID 17171920) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-[(naphthalene-2-carbonylamino)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(naphthalene-2-carbonylamino)methyl]benzoic acid
PubChem CID17171920
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name4-[(naphthalene-2-carbonylamino)methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H15NO3/c21-18(17-10-9-14-3-1-2-4-16(14)11-17)20-12-13-5-7-15(8-6-13)19(22)23/h1-11H,12H2,(H,20,21)(H,22,23)
InChIKeyDJLTYYCIGWOEDE-UHFFFAOYSA-N
XLogP3.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(naphthalene-2-carbonylamino)methyl]benzoic acid?
The IUPAC name of 4-[(naphthalene-2-carbonylamino)methyl]benzoic acid (CID 17171920) is 4-[(naphthalene-2-carbonylamino)methyl]benzoic acid.
What is the SMILES notation for 4-[(naphthalene-2-carbonylamino)methyl]benzoic acid?
The canonical SMILES for 4-[(naphthalene-2-carbonylamino)methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-[(naphthalene-2-carbonylamino)methyl]benzoic acid?
The InChIKey is DJLTYYCIGWOEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-18(17-10-9-14-3-1-2-4-16(14)11-17)20-12-13-5-7-15(8-6-13)19(22)23/h1-11H,12H2,(H,20,21)(H,22,23).
What are the key properties of 4-[(naphthalene-2-carbonylamino)methyl]benzoic acid?
4-[(naphthalene-2-carbonylamino)methyl]benzoic acid has a molecular weight of 305.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(naphthalene-2-carbonylamino)methyl]benzoic acid is sourced from PubChem (CID 17171920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).