4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid

C18H17NO3 — CID 18876241

IUPAC4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C18H17NO3/c20-17(19-16-9-7-13(8-10-16)18(21)22)15-6-5-12-3-1-2-4-14(12)11-15/h5-11H,1-4H2,(H,19,20)(H,21,22)
InChIKeyYBLHTMVOCZPGFD-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.52
Rot. Bonds3

About 4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid

4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid (PubChem CID 18876241) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
PubChem CID18876241
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C18H17NO3/c20-17(19-16-9-7-13(8-10-16)18(21)22)15-6-5-12-3-1-2-4-14(12)11-15/h5-11H,1-4H2,(H,19,20)(H,21,22)
InChIKeyYBLHTMVOCZPGFD-UHFFFAOYSA-N
XLogP3.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 41266130
4-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)phenyl]piperazin-1-yl]benzoic acid
CID 59318101
5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyridine-2-carboxylic acid
CID 166178703
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid
CID 115866991
N-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 18876232
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7669273
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51300167
N-[4-(1-adamantyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703536
4-(bicyclo[10.3.1]hexadeca-1(16),12,14-triene-14-carbonylamino)benzoic acid
CID 71724461

Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid?
The IUPAC name of 4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid (CID 18876241) is 4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid.
What is the SMILES notation for 4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid?
The canonical SMILES for 4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid is O=C(O)c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of 4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid?
The InChIKey is YBLHTMVOCZPGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c20-17(19-16-9-7-13(8-10-16)18(21)22)15-6-5-12-3-1-2-4-14(12)11-15/h5-11H,1-4H2,(H,19,20)(H,21,22).
What are the key properties of 4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid?
4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid has a molecular weight of 295.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid is sourced from PubChem (CID 18876241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).