2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide

C18H16Cl3FN2O — CID 8977734

IUPAC2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1F)C1CC1)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl3FN2O/c19-12-7-14(20)18(15(21)8-12)23-17(25)10-24(13-5-6-13)9-11-3-1-2-4-16(11)22/h1-4,7-8,13H,5-6,9-10H2,(H,23,25)
InChIKeyCWIOZBNFMUHKSX-UHFFFAOYSA-N
MW401.70 g/mol
LogP5.39
Rot. Bonds6

About 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide

2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 8977734) has the molecular formula C18H16Cl3FN2O and a molecular weight of 401.70 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID8977734
Molecular FormulaC18H16Cl3FN2O
Molecular Weight401.70 g/mol
Exact Mass400.03
IUPAC Name2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1F)C1CC1)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl3FN2O/c19-12-7-14(20)18(15(21)8-12)23-17(25)10-24(13-5-6-13)9-11-3-1-2-4-16(11)22/h1-4,7-8,13H,5-6,9-10H2,(H,23,25)
InChIKeyCWIOZBNFMUHKSX-UHFFFAOYSA-N
XLogP5.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.70
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8977549
N-(2-bromo-4,6-difluorophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 78827920
N-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8977667
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 26651079
N-(2-chloro-4-nitrophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8977916
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8977816
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 8977684
N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 27106314
2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 55837704
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8977636
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide
CID 17489433
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 18088884

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide (CID 8977734) is 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide is O=C(CN(Cc1ccccc1F)C1CC1)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is CWIOZBNFMUHKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3FN2O/c19-12-7-14(20)18(15(21)8-12)23-17(25)10-24(13-5-6-13)9-11-3-1-2-4-16(11)22/h1-4,7-8,13H,5-6,9-10H2,(H,23,25).
What are the key properties of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide?
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 401.70 g/mol, XLogP of 5.39, 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-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 8977734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).