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2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide

C18H17F3N2O — CID 26651079

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1F)C1CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C18H17F3N2O/c19-13-5-8-17(16(21)9-13)22-18(24)11-23(14-6-7-14)10-12-3-1-2-4-15(12)20/h1-5,8-9,14H,6-7,10-11H2,(H,22,24)
InChIKeyXEBNSIKNIYJWPV-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.71
Rot. Bonds6

About 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide

2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide (PubChem CID 26651079) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
PubChem CID26651079
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1F)C1CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C18H17F3N2O/c19-13-5-8-17(16(21)9-13)22-18(24)11-23(14-6-7-14)10-12-3-1-2-4-15(12)20/h1-5,8-9,14H,6-7,10-11H2,(H,22,24)
InChIKeyXEBNSIKNIYJWPV-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide (CID 26651079) is 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide is O=C(CN(Cc1ccccc1F)C1CC1)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is XEBNSIKNIYJWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c19-13-5-8-17(16(21)9-13)22-18(24)11-23(14-6-7-14)10-12-3-1-2-4-15(12)20/h1-5,8-9,14H,6-7,10-11H2,(H,22,24).
What are the key properties of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide?
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 334.34 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 26651079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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