4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate

C24H16FN2O5- — CID 4068461

IUPAC4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate
SMILESCOc1cccc2cc(C(=O)Nc3ccccc3F)/c(=N/c3ccc(C(=O)[O-])cc3)oc12
InChIInChI=1S/C24H17FN2O5/c1-31-20-8-4-5-15-13-17(22(28)27-19-7-3-2-6-18(19)25)23(32-21(15)20)26-16-11-9-14(10-12-16)24(29)30/h2-13H,1H3,(H,27,28)(H,29,30)/p-1/b26-23-
InChIKeyFORBYWJXFPJISP-RWEWTDSWSA-M
MW431.40 g/mol
LogP3.43
Rot. Bonds5

About 4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate

4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate (PubChem CID 4068461) has the molecular formula C24H16FN2O5- and a molecular weight of 431.40 g/mol. Its IUPAC name is 4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate.

Molecular Properties

Compound Name4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate
PubChem CID4068461
Molecular FormulaC24H16FN2O5-
Molecular Weight431.40 g/mol
Exact Mass431.10
IUPAC Name4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate
SMILESCOc1cccc2cc(C(=O)Nc3ccccc3F)/c(=N/c3ccc(C(=O)[O-])cc3)oc12
InChIInChI=1S/C24H17FN2O5/c1-31-20-8-4-5-15-13-17(22(28)27-19-7-3-2-6-18(19)25)23(32-21(15)20)26-16-11-9-14(10-12-16)24(29)30/h2-13H,1H3,(H,27,28)(H,29,30)/p-1/b26-23-
InChIKeyFORBYWJXFPJISP-RWEWTDSWSA-M
XLogP3.43
TPSA103.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate with MolForge

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Related Compounds

N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
(2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide
CID 41493067
4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoate
CID 4078534
2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide
CID 997934
4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid
CID 23766700
2-(2-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 51367145
N-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide
CID 3885953
4-[[3-[(2,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoic acid
CID 4078537
2-(4-fluorophenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1135040
2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide
CID 51366970
2-(4-fluoro-3-methylphenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367650
8-methoxy-2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367581

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate?
The IUPAC name of 4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate (CID 4068461) is 4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate.
What is the SMILES notation for 4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate?
The canonical SMILES for 4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate is COc1cccc2cc(C(=O)Nc3ccccc3F)/c(=N/c3ccc(C(=O)[O-])cc3)oc12.
What is the InChIKey of 4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate?
The InChIKey is FORBYWJXFPJISP-RWEWTDSWSA-M. The full InChI is InChI=1S/C24H17FN2O5/c1-31-20-8-4-5-15-13-17(22(28)27-19-7-3-2-6-18(19)25)23(32-21(15)20)26-16-11-9-14(10-12-16)24(29)30/h2-13H,1H3,(H,27,28)(H,29,30)/p-1/b26-23-.
What are the key properties of 4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate?
4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate has a molecular weight of 431.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate is sourced from PubChem (CID 4068461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).