4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid

C24H17FN2O5 — CID 23766700

IUPAC4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid
SMILESCOc1ccc2o/c(=N\c3ccc(C(=O)O)cc3)c(C(=O)Nc3ccccc3F)cc2c1
InChIInChI=1S/C24H17FN2O5/c1-31-17-10-11-21-15(12-17)13-18(22(28)27-20-5-3-2-4-19(20)25)23(32-21)26-16-8-6-14(7-9-16)24(29)30/h2-13H,1H3,(H,27,28)(H,29,30)/b26-23-
InChIKeyGWQTUXZLASZIRL-RWEWTDSWSA-N
MW432.41 g/mol
LogP4.76
Rot. Bonds5

About 4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid

4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid (PubChem CID 23766700) has the molecular formula C24H17FN2O5 and a molecular weight of 432.41 g/mol. Its IUPAC name is 4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid.

Molecular Properties

Compound Name4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid
PubChem CID23766700
Molecular FormulaC24H17FN2O5
Molecular Weight432.41 g/mol
Exact Mass432.11
IUPAC Name4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid
SMILESCOc1ccc2o/c(=N\c3ccc(C(=O)O)cc3)c(C(=O)Nc3ccccc3F)cc2c1
InChIInChI=1S/C24H17FN2O5/c1-31-17-10-11-21-15(12-17)13-18(22(28)27-20-5-3-2-4-19(20)25)23(32-21)26-16-8-6-14(7-9-16)24(29)30/h2-13H,1H3,(H,27,28)(H,29,30)/b26-23-
InChIKeyGWQTUXZLASZIRL-RWEWTDSWSA-N
XLogP4.76
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid with MolForge

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Related Compounds

4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoate
CID 4072902
N-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide
CID 1020902
4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate
CID 4068461
4-[[7-methoxy-3-[[3-(trifluoromethyl)phenyl]carbamoyl]chromen-2-ylidene]amino]benzoic acid
CID 4078376
6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide
CID 3577385
2-(4-carbamoylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368024
2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368055
4-[[3-[(2,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoic acid
CID 4078537
4-[[3-[(3-chlorophenyl)methylcarbamoyl]-7-methoxychromen-2-ylidene]amino]benzoic acid
CID 4072899
1-[6-fluoro-2-(4-methoxyphenyl)iminochromen-3-yl]ethanone
CID 71248663
2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370455
N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 4059771

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid?
The IUPAC name of 4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid (CID 23766700) is 4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid.
What is the SMILES notation for 4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid?
The canonical SMILES for 4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid is COc1ccc2o/c(=N\c3ccc(C(=O)O)cc3)c(C(=O)Nc3ccccc3F)cc2c1.
What is the InChIKey of 4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid?
The InChIKey is GWQTUXZLASZIRL-RWEWTDSWSA-N. The full InChI is InChI=1S/C24H17FN2O5/c1-31-17-10-11-21-15(12-17)13-18(22(28)27-20-5-3-2-4-19(20)25)23(32-21)26-16-8-6-14(7-9-16)24(29)30/h2-13H,1H3,(H,27,28)(H,29,30)/b26-23-.
What are the key properties of 4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid?
4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid has a molecular weight of 432.41 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid is sourced from PubChem (CID 23766700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).