N-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide

C21H20F2N2O2 — CID 166900588

IUPACN-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide
SMILESO=C(NC1CCC(C(F)F)CC1)c1ccc(-c2nccc3occc23)cc1
InChIInChI=1S/C21H20F2N2O2/c22-20(23)14-5-7-16(8-6-14)25-21(26)15-3-1-13(2-4-15)19-17-10-12-27-18(17)9-11-24-19/h1-4,9-12,14,16,20H,5-8H2,(H,25,26)
InChIKeyUUOHVDJANBUYDH-UHFFFAOYSA-N
MW370.40 g/mol
LogP5.05
Rot. Bonds4

About N-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide

N-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide (PubChem CID 166900588) has the molecular formula C21H20F2N2O2 and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide
PubChem CID166900588
Molecular FormulaC21H20F2N2O2
Molecular Weight370.40 g/mol
Exact Mass370.15
IUPAC NameN-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide
SMILESO=C(NC1CCC(C(F)F)CC1)c1ccc(-c2nccc3occc23)cc1
InChIInChI=1S/C21H20F2N2O2/c22-20(23)14-5-7-16(8-6-14)25-21(26)15-3-1-13(2-4-15)19-17-10-12-27-18(17)9-11-24-19/h1-4,9-12,14,16,20H,5-8H2,(H,25,26)
InChIKeyUUOHVDJANBUYDH-UHFFFAOYSA-N
XLogP5.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-furo[3,2-c]pyridin-4-yl-N-[4-(1-hydroxyethyl)cyclohexyl]benzamide
CID 162519495
4-furo[3,2-c]pyridin-4-yl-N-[4-(1-hydroxycyclopropyl)cyclohexyl]benzamide
CID 162519561
trans-(1S,3S)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 170170991
4-furo[3,2-c]pyridin-4-yl-N-pyrrolidin-3-ylbenzamide
CID 166900825
4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide
CID 162519539
4-furo[3,2-c]pyridin-4-yl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]benzamide
CID 166900969
(3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 170171245
4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide
CID 166901154
4-furo[3,2-c]pyridin-4-yl-N-(1-pyridazin-3-ylpiperidin-4-yl)benzamide
CID 162519533
3-fluoro-4-furo[3,2-c]pyridin-4-yl-N-(4-hydroxycyclohexyl)benzamide
CID 162519654
N-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide
CID 166900978
N-cyclohexyl-3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzamide
CID 166900569

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide?
The IUPAC name of N-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide (CID 166900588) is N-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide.
What is the SMILES notation for N-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide?
The canonical SMILES for N-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide is O=C(NC1CCC(C(F)F)CC1)c1ccc(-c2nccc3occc23)cc1.
What is the InChIKey of N-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide?
The InChIKey is UUOHVDJANBUYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O2/c22-20(23)14-5-7-16(8-6-14)25-21(26)15-3-1-13(2-4-15)19-17-10-12-27-18(17)9-11-24-19/h1-4,9-12,14,16,20H,5-8H2,(H,25,26).
What are the key properties of N-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide?
N-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide has a molecular weight of 370.40 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide is sourced from PubChem (CID 166900588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).