N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide

C16H11F2NO2 — CID 26736929

IUPACN-(3,4-difluorophenyl)-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1=Cc2ccccc2OC1
InChIInChI=1S/C16H11F2NO2/c17-13-6-5-12(8-14(13)18)19-16(20)11-7-10-3-1-2-4-15(10)21-9-11/h1-8H,9H2,(H,19,20)
InChIKeyRZJQDNHQTLBXOX-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.38
Rot. Bonds2

About N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide

N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide (PubChem CID 26736929) has the molecular formula C16H11F2NO2 and a molecular weight of 287.27 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2H-chromene-3-carboxamide
PubChem CID26736929
Molecular FormulaC16H11F2NO2
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC NameN-(3,4-difluorophenyl)-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1=Cc2ccccc2OC1
InChIInChI=1S/C16H11F2NO2/c17-13-6-5-12(8-14(13)18)19-16(20)11-7-10-3-1-2-4-15(10)21-9-11/h1-8H,9H2,(H,19,20)
InChIKeyRZJQDNHQTLBXOX-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3,4-difluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741788
N-(2-fluorophenyl)-2H-chromene-3-carboxamide
CID 7464960
N-(3-methylphenyl)-2H-chromene-3-carboxamide
CID 7464936
N-(4-acetylphenyl)-2H-chromene-3-carboxamide
CID 9042646
N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide
CID 26782775
6-fluoro-N-(4-fluorophenyl)-2H-chromene-3-carboxamide
CID 146123471
N-(3-methylsulfonylphenyl)-2H-chromene-3-carboxamide
CID 26975924
N-(2-fluoro-5-methylsulfonylphenyl)-2H-chromene-3-carboxamide
CID 34075450
N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide
CID 7465015
N-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide
CID 9046682
N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide
CID 17418033
N-(2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzoxazin-7-yl)-2H-chromene-3-carboxamide
CID 2738719

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide (CID 26736929) is N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)C1=Cc2ccccc2OC1.
What is the InChIKey of N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide?
The InChIKey is RZJQDNHQTLBXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO2/c17-13-6-5-12(8-14(13)18)19-16(20)11-7-10-3-1-2-4-15(10)21-9-11/h1-8H,9H2,(H,19,20).
What are the key properties of N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide?
N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide has a molecular weight of 287.27 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 26736929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).