2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide

C17H11F3N2O2 — CID 3514997

IUPAC2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccccc2cc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)11-5-3-6-12(9-11)22-16(23)13-8-10-4-1-2-7-14(10)24-15(13)21/h1-9,21H,(H,22,23)/b21-15-
InChIKeyZZQUIBPMWWZJIX-QNGOZBTKSA-N
MW332.28 g/mol
LogP4.18
Rot. Bonds2

About 2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide

2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide (PubChem CID 3514997) has the molecular formula C17H11F3N2O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is 2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide
PubChem CID3514997
Molecular FormulaC17H11F3N2O2
Molecular Weight332.28 g/mol
Exact Mass332.08
IUPAC Name2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccccc2cc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)11-5-3-6-12(9-11)22-16(23)13-8-10-4-1-2-7-14(10)24-15(13)21/h1-9,21H,(H,22,23)/b21-15-
InChIKeyZZQUIBPMWWZJIX-QNGOZBTKSA-N
XLogP4.18
TPSA66.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]chromene-3-carboxamide
CID 2109013
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
3-[3-(trifluoromethyl)phenyl]chromen-2-imine
CID 134811612
2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 118986422
methyl 2-iminochromene-3-carboxylate
CID 12862902
[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
CID 150746432
6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide
CID 17373603
N-(3,4-difluorophenyl)-8-hydroxy-2-iminochromene-3-carboxamide
CID 152560062
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283
N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 5346060
N-[(Z)-benzylideneamino]-2-iminochromene-3-carboxamide
CID 5453496
8-hydroxy-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 19573969

Frequently Asked Questions

What is the IUPAC name of 2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide?
The IUPAC name of 2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide (CID 3514997) is 2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide.
What is the SMILES notation for 2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide?
The canonical SMILES for 2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide is [H]/N=c1\oc2ccccc2cc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide?
The InChIKey is ZZQUIBPMWWZJIX-QNGOZBTKSA-N. The full InChI is InChI=1S/C17H11F3N2O2/c18-17(19,20)11-5-3-6-12(9-11)22-16(23)13-8-10-4-1-2-7-14(10)24-15(13)21/h1-9,21H,(H,22,23)/b21-15-.
What are the key properties of 2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide?
2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide has a molecular weight of 332.28 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide is sourced from PubChem (CID 3514997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).