4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoate

C24H15ClFN2O5- — CID 4072902

IUPAC4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoate
SMILESCOc1ccc2o/c(=N\c3ccc(C(=O)[O-])cc3)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2c1
InChIInChI=1S/C24H16ClFN2O5/c1-32-17-7-9-21-14(10-17)11-18(22(29)27-16-6-8-20(26)19(25)12-16)23(33-21)28-15-4-2-13(3-5-15)24(30)31/h2-12H,1H3,(H,27,29)(H,30,31)/p-1/b28-23-
InChIKeyRMNIHUGDHQVWDT-NFFVHWSESA-M
MW465.84 g/mol
LogP4.08
Rot. Bonds5

About 4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoate

4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoate (PubChem CID 4072902) has the molecular formula C24H15ClFN2O5- and a molecular weight of 465.84 g/mol. Its IUPAC name is 4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoate.

Molecular Properties

Compound Name4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoate
PubChem CID4072902
Molecular FormulaC24H15ClFN2O5-
Molecular Weight465.84 g/mol
Exact Mass465.07
IUPAC Name4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoate
SMILESCOc1ccc2o/c(=N\c3ccc(C(=O)[O-])cc3)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2c1
InChIInChI=1S/C24H16ClFN2O5/c1-32-17-7-9-21-14(10-17)11-18(22(29)27-16-6-8-20(26)19(25)12-16)23(33-21)28-15-4-2-13(3-5-15)24(30)31/h2-12H,1H3,(H,27,29)(H,30,31)/p-1/b28-23-
InChIKeyRMNIHUGDHQVWDT-NFFVHWSESA-M
XLogP4.08
TPSA103.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.84
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide
CID 3577385
4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid
CID 23766700
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
2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368049
N-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide
CID 1020902
2-(3-chloro-4-methoxyphenyl)imino-N-(4-chlorophenyl)chromene-3-carboxamide
CID 51367328
N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide
CID 3963313
6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 35218231
1-[6-fluoro-2-(4-methoxyphenyl)iminochromen-3-yl]ethanone
CID 71248663
N-(3-chloro-4-fluorophenyl)-2,4-dimethoxybenzamide
CID 4674672
4-[[7-methoxy-3-[[3-(trifluoromethyl)phenyl]carbamoyl]chromen-2-ylidene]amino]benzoic acid
CID 4078376

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoate?
The IUPAC name of 4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoate (CID 4072902) is 4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoate.
What is the SMILES notation for 4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoate?
The canonical SMILES for 4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoate is COc1ccc2o/c(=N\c3ccc(C(=O)[O-])cc3)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2c1.
What is the InChIKey of 4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoate?
The InChIKey is RMNIHUGDHQVWDT-NFFVHWSESA-M. The full InChI is InChI=1S/C24H16ClFN2O5/c1-32-17-7-9-21-14(10-17)11-18(22(29)27-16-6-8-20(26)19(25)12-16)23(33-21)28-15-4-2-13(3-5-15)24(30)31/h2-12H,1H3,(H,27,29)(H,30,31)/p-1/b28-23-.
What are the key properties of 4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoate?
4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoate has a molecular weight of 465.84 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoate is sourced from PubChem (CID 4072902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).