N-acetyl-3-(3-fluorophenyl)iminobenzo[f]chromene-2-carboxamide

C22H15FN2O3 — CID 997836

IUPACN-acetyl-3-(3-fluorophenyl)iminobenzo[f]chromene-2-carboxamide
SMILESCC(=O)NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1cccc(F)c1
InChIInChI=1S/C22H15FN2O3/c1-13(26)24-21(27)19-12-18-17-8-3-2-5-14(17)9-10-20(18)28-22(19)25-16-7-4-6-15(23)11-16/h2-12H,1H3,(H,24,26,27)/b25-22-
InChIKeyKIBFJBNLNKMVEM-LVWGJNHUSA-N
MW374.37 g/mol
LogP4.23
Rot. Bonds2

About N-acetyl-3-(3-fluorophenyl)iminobenzo[f]chromene-2-carboxamide

N-acetyl-3-(3-fluorophenyl)iminobenzo[f]chromene-2-carboxamide (PubChem CID 997836) has the molecular formula C22H15FN2O3 and a molecular weight of 374.37 g/mol. Its IUPAC name is N-acetyl-3-(3-fluorophenyl)iminobenzo[f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-acetyl-3-(3-fluorophenyl)iminobenzo[f]chromene-2-carboxamide
PubChem CID997836
Molecular FormulaC22H15FN2O3
Molecular Weight374.37 g/mol
Exact Mass374.11
IUPAC NameN-acetyl-3-(3-fluorophenyl)iminobenzo[f]chromene-2-carboxamide
SMILESCC(=O)NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1cccc(F)c1
InChIInChI=1S/C22H15FN2O3/c1-13(26)24-21(27)19-12-18-17-8-3-2-5-14(17)9-10-20(18)28-22(19)25-16-7-4-6-15(23)11-16/h2-12H,1H3,(H,24,26,27)/b25-22-
InChIKeyKIBFJBNLNKMVEM-LVWGJNHUSA-N
XLogP4.23
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-Phenyl-7-oxa-8,10-diaza-benzo[a]anthracene-9,11-dione
CID 46231289
N-(4-fluorophenyl)-2-imino-6-methoxy-2H-chromene-3-carboxamide
CID 4041375
3-oxo-N-phenyl-3H-benzo[f]chromene-2-carboxamide
CID 3123858
(2Z)-N-acetyl-2-[(2-fluorophenyl)imino]-6-methoxy-2H-chromene-3-carboxamide
CID 3887632
(2Z)-N-acetyl-2-[(2-fluorophenyl)imino]-8-methoxy-2H-chromene-3-carboxamide
CID 4274358
2-imino-N-(naphthalen-1-yl)-2H-chromene-3-carboxamide
CID 395954
(2Z)-N-acetyl-2-[(2-fluorophenyl)imino]-2H-chromene-3-carboxamide
CID 397125
N-acetyl-6-methoxy-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 397126
(2Z)-N-acetyl-2-[(4-fluorophenyl)imino]-6-methoxy-2H-chromene-3-carboxamide
CID 397127
N-(2-fluorophenyl)-2-(4-methoxyphenyl)iminochromene-3-carboxamide
CID 997803
N-acetyl-8-ethoxy-2-(4-fluorophenyl)iminochromene-3-carboxamide
CID 997895
(2Z)-N-acetyl-2-{[3-(trifluoromethyl)phenyl]imino}-2H-chromene-3-carboxamide
CID 2054487

Frequently Asked Questions

What is the IUPAC name of N-acetyl-3-(3-fluorophenyl)iminobenzo[f]chromene-2-carboxamide?
The IUPAC name of N-acetyl-3-(3-fluorophenyl)iminobenzo[f]chromene-2-carboxamide (CID 997836) is N-acetyl-3-(3-fluorophenyl)iminobenzo[f]chromene-2-carboxamide.
What is the SMILES notation for N-acetyl-3-(3-fluorophenyl)iminobenzo[f]chromene-2-carboxamide?
The canonical SMILES for N-acetyl-3-(3-fluorophenyl)iminobenzo[f]chromene-2-carboxamide is CC(=O)NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1cccc(F)c1.
What is the InChIKey of N-acetyl-3-(3-fluorophenyl)iminobenzo[f]chromene-2-carboxamide?
The InChIKey is KIBFJBNLNKMVEM-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H15FN2O3/c1-13(26)24-21(27)19-12-18-17-8-3-2-5-14(17)9-10-20(18)28-22(19)25-16-7-4-6-15(23)11-16/h2-12H,1H3,(H,24,26,27)/b25-22-.
What are the key properties of N-acetyl-3-(3-fluorophenyl)iminobenzo[f]chromene-2-carboxamide?
N-acetyl-3-(3-fluorophenyl)iminobenzo[f]chromene-2-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-3-(3-fluorophenyl)iminobenzo[f]chromene-2-carboxamide is sourced from PubChem (CID 997836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).