4-[(4-fluorophenyl)carbamoyl]-8-formyl-5-methylnaphthalene-1-carboxylic acid

C20H14FNO4 — CID 88887871

IUPAC4-[(4-fluorophenyl)carbamoyl]-8-formyl-5-methylnaphthalene-1-carboxylic acid
SMILESCc1ccc(C=O)c2c(C(=O)O)ccc(C(=O)Nc3ccc(F)cc3)c12
InChIInChI=1S/C20H14FNO4/c1-11-2-3-12(10-23)18-16(20(25)26)9-8-15(17(11)18)19(24)22-14-6-4-13(21)5-7-14/h2-10H,1H3,(H,22,24)(H,25,26)
InChIKeyXWSPZYRBTVIXIZ-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.05
Rot. Bonds4

About 4-[(4-fluorophenyl)carbamoyl]-8-formyl-5-methylnaphthalene-1-carboxylic acid

4-[(4-fluorophenyl)carbamoyl]-8-formyl-5-methylnaphthalene-1-carboxylic acid (PubChem CID 88887871) has the molecular formula C20H14FNO4 and a molecular weight of 351.33 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)carbamoyl]-8-formyl-5-methylnaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-fluorophenyl)carbamoyl]-8-formyl-5-methylnaphthalene-1-carboxylic acid
PubChem CID88887871
Molecular FormulaC20H14FNO4
Molecular Weight351.33 g/mol
Exact Mass351.09
IUPAC Name4-[(4-fluorophenyl)carbamoyl]-8-formyl-5-methylnaphthalene-1-carboxylic acid
SMILESCc1ccc(C=O)c2c(C(=O)O)ccc(C(=O)Nc3ccc(F)cc3)c12
InChIInChI=1S/C20H14FNO4/c1-11-2-3-12(10-23)18-16(20(25)26)9-8-15(17(11)18)19(24)22-14-6-4-13(21)5-7-14/h2-10H,1H3,(H,22,24)(H,25,26)
InChIKeyXWSPZYRBTVIXIZ-UHFFFAOYSA-N
XLogP4.05
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-formyl-4,8-bis(phenylcarbamoyl)naphthalene-1-carboxylic acid
CID 88871088
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
CID 63653506
N-(4-fluorophenyl)-3-methylnaphthalene-2-carboxamide
CID 91032994
CID 146983467
CID 146983467
N-(4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110858696
4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid
CID 62033554
4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 115298490
N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757361
2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 982173
2-(4-fluorophenyl)-6-methyl-N-(4-methylphenyl)quinoline-4-carboxamide
CID 42749727
5-formyl-4,8-bis[[4-(trifluoromethyl)cyclohexyl]carbamoyl]naphthalene-1-carboxylic acid
CID 88871083

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)carbamoyl]-8-formyl-5-methylnaphthalene-1-carboxylic acid?
The IUPAC name of 4-[(4-fluorophenyl)carbamoyl]-8-formyl-5-methylnaphthalene-1-carboxylic acid (CID 88887871) is 4-[(4-fluorophenyl)carbamoyl]-8-formyl-5-methylnaphthalene-1-carboxylic acid.
What is the SMILES notation for 4-[(4-fluorophenyl)carbamoyl]-8-formyl-5-methylnaphthalene-1-carboxylic acid?
The canonical SMILES for 4-[(4-fluorophenyl)carbamoyl]-8-formyl-5-methylnaphthalene-1-carboxylic acid is Cc1ccc(C=O)c2c(C(=O)O)ccc(C(=O)Nc3ccc(F)cc3)c12.
What is the InChIKey of 4-[(4-fluorophenyl)carbamoyl]-8-formyl-5-methylnaphthalene-1-carboxylic acid?
The InChIKey is XWSPZYRBTVIXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO4/c1-11-2-3-12(10-23)18-16(20(25)26)9-8-15(17(11)18)19(24)22-14-6-4-13(21)5-7-14/h2-10H,1H3,(H,22,24)(H,25,26).
What are the key properties of 4-[(4-fluorophenyl)carbamoyl]-8-formyl-5-methylnaphthalene-1-carboxylic acid?
4-[(4-fluorophenyl)carbamoyl]-8-formyl-5-methylnaphthalene-1-carboxylic acid has a molecular weight of 351.33 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)carbamoyl]-8-formyl-5-methylnaphthalene-1-carboxylic acid is sourced from PubChem (CID 88887871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).