N-[(4-fluorophenyl)-phenylmethyl]-4-oxochromene-2-carboxamide

C23H16FNO3 — CID 86925625

IUPACN-[(4-fluorophenyl)-phenylmethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(F)cc1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C23H16FNO3/c24-17-12-10-16(11-13-17)22(15-6-2-1-3-7-15)25-23(27)21-14-19(26)18-8-4-5-9-20(18)28-21/h1-14,22H,(H,25,27)
InChIKeyZDFRXNFSMSLMLE-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.45
Rot. Bonds4

About N-[(4-fluorophenyl)-phenylmethyl]-4-oxochromene-2-carboxamide

N-[(4-fluorophenyl)-phenylmethyl]-4-oxochromene-2-carboxamide (PubChem CID 86925625) has the molecular formula C23H16FNO3 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-phenylmethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-phenylmethyl]-4-oxochromene-2-carboxamide
PubChem CID86925625
Molecular FormulaC23H16FNO3
Molecular Weight373.38 g/mol
Exact Mass373.11
IUPAC NameN-[(4-fluorophenyl)-phenylmethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(F)cc1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C23H16FNO3/c24-17-12-10-16(11-13-17)22(15-6-2-1-3-7-15)25-23(27)21-14-19(26)18-8-4-5-9-20(18)28-21/h1-14,22H,(H,25,27)
InChIKeyZDFRXNFSMSLMLE-UHFFFAOYSA-N
XLogP4.45
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-4-oxochromene-2-carboxamide (CID 86925625) is N-[(4-fluorophenyl)-phenylmethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-phenylmethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-phenylmethyl]-4-oxochromene-2-carboxamide is O=C(NC(c1ccccc1)c1ccc(F)cc1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[(4-fluorophenyl)-phenylmethyl]-4-oxochromene-2-carboxamide?
The InChIKey is ZDFRXNFSMSLMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO3/c24-17-12-10-16(11-13-17)22(15-6-2-1-3-7-15)25-23(27)21-14-19(26)18-8-4-5-9-20(18)28-21/h1-14,22H,(H,25,27).
What are the key properties of N-[(4-fluorophenyl)-phenylmethyl]-4-oxochromene-2-carboxamide?
N-[(4-fluorophenyl)-phenylmethyl]-4-oxochromene-2-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-phenylmethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 86925625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).