2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide

C18H19ClF4N2O2 — CID 86952009

IUPAC2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(NCC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(F)cc1Cl
InChIInChI=1S/C18H19ClF4N2O2/c1-17(2,14-6-5-12(20)8-15(14)19)24-9-16(26)25(11-18(21,22)23)10-13-4-3-7-27-13/h3-8,24H,9-11H2,1-2H3
InChIKeyYGDIYSAGQIBAAZ-UHFFFAOYSA-N
MW406.81 g/mol
LogP4.49
Rot. Bonds7

About 2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 86952009) has the molecular formula C18H19ClF4N2O2 and a molecular weight of 406.81 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID86952009
Molecular FormulaC18H19ClF4N2O2
Molecular Weight406.81 g/mol
Exact Mass406.11
IUPAC Name2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(NCC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(F)cc1Cl
InChIInChI=1S/C18H19ClF4N2O2/c1-17(2,14-6-5-12(20)8-15(14)19)24-9-16(26)25(11-18(21,22)23)10-13-4-3-7-27-13/h3-8,24H,9-11H2,1-2H3
InChIKeyYGDIYSAGQIBAAZ-UHFFFAOYSA-N
XLogP4.49
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.81
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 60937580
3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 66483339
2,4-dichloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 55523141
2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 79793559
2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
CID 61328447
3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62728690
5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625918
N-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 134032635
2-chloro-N-(3,3-difluoro-2,2-dimethylpentyl)-N-(furan-2-ylmethyl)acetamide
CID 167884453
N-(furan-2-ylmethyl)-2-[methyl(naphthalen-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60572800
2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666
N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide
CID 78915168

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 86952009) is 2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)(NCC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(F)cc1Cl.
What is the InChIKey of 2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YGDIYSAGQIBAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF4N2O2/c1-17(2,14-6-5-12(20)8-15(14)19)24-9-16(26)25(11-18(21,22)23)10-13-4-3-7-27-13/h3-8,24H,9-11H2,1-2H3.
What are the key properties of 2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 406.81 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 86952009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).