N-(2-fluorophenyl)-2-(4-methoxyphenyl)iminochromene-3-carboxamide

C23H17FN2O3 — CID 997803

IUPACN-(2-fluorophenyl)-2-(4-methoxyphenyl)iminochromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C23H17FN2O3/c1-28-17-12-10-16(11-13-17)25-23-18(14-15-6-2-5-9-21(15)29-23)22(27)26-20-8-4-3-7-19(20)24/h2-14H,1H3,(H,26,27)/b25-23-
InChIKeyNFQVSZKMNHIPBK-BZZOAKBMSA-N
MW388.40 g/mol
LogP5.07
Rot. Bonds4

About N-(2-fluorophenyl)-2-(4-methoxyphenyl)iminochromene-3-carboxamide

N-(2-fluorophenyl)-2-(4-methoxyphenyl)iminochromene-3-carboxamide (PubChem CID 997803) has the molecular formula C23H17FN2O3 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(4-methoxyphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(4-methoxyphenyl)iminochromene-3-carboxamide
PubChem CID997803
Molecular FormulaC23H17FN2O3
Molecular Weight388.40 g/mol
Exact Mass388.12
IUPAC NameN-(2-fluorophenyl)-2-(4-methoxyphenyl)iminochromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C23H17FN2O3/c1-28-17-12-10-16(11-13-17)25-23-18(14-15-6-2-5-9-21(15)29-23)22(27)26-20-8-4-3-7-19(20)24/h2-14H,1H3,(H,26,27)/b25-23-
InChIKeyNFQVSZKMNHIPBK-BZZOAKBMSA-N
XLogP5.07
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.40
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(4-methoxyphenyl)iminochromene-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-(4-methoxyphenyl)iminochromene-3-carboxamide (CID 997803) is N-(2-fluorophenyl)-2-(4-methoxyphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(4-methoxyphenyl)iminochromene-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(4-methoxyphenyl)iminochromene-3-carboxamide is COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-(2-fluorophenyl)-2-(4-methoxyphenyl)iminochromene-3-carboxamide?
The InChIKey is NFQVSZKMNHIPBK-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H17FN2O3/c1-28-17-12-10-16(11-13-17)25-23-18(14-15-6-2-5-9-21(15)29-23)22(27)26-20-8-4-3-7-19(20)24/h2-14H,1H3,(H,26,27)/b25-23-.
What are the key properties of N-(2-fluorophenyl)-2-(4-methoxyphenyl)iminochromene-3-carboxamide?
N-(2-fluorophenyl)-2-(4-methoxyphenyl)iminochromene-3-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(4-methoxyphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 997803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).