N-[[3-chloro-4-(1-methylcyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C20H19ClF3NO — CID 69342971

IUPACN-[[3-chloro-4-(1-methylcyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC1(c2ccc(CNC(=O)Cc3cccc(C(F)(F)F)c3)cc2Cl)CC1
InChIInChI=1S/C20H19ClF3NO/c1-19(7-8-19)16-6-5-14(10-17(16)21)12-25-18(26)11-13-3-2-4-15(9-13)20(22,23)24/h2-6,9-10H,7-8,11-12H2,1H3,(H,25,26)
InChIKeyUESYOXOTSVPPMA-UHFFFAOYSA-N
MW381.83 g/mol
LogP5.27
Rot. Bonds5

About N-[[3-chloro-4-(1-methylcyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[[3-chloro-4-(1-methylcyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 69342971) has the molecular formula C20H19ClF3NO and a molecular weight of 381.83 g/mol. Its IUPAC name is N-[[3-chloro-4-(1-methylcyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[3-chloro-4-(1-methylcyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID69342971
Molecular FormulaC20H19ClF3NO
Molecular Weight381.83 g/mol
Exact Mass381.11
IUPAC NameN-[[3-chloro-4-(1-methylcyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC1(c2ccc(CNC(=O)Cc3cccc(C(F)(F)F)c3)cc2Cl)CC1
InChIInChI=1S/C20H19ClF3NO/c1-19(7-8-19)16-6-5-14(10-17(16)21)12-25-18(26)11-13-3-2-4-15(9-13)20(22,23)24/h2-6,9-10H,7-8,11-12H2,1H3,(H,25,26)
InChIKeyUESYOXOTSVPPMA-UHFFFAOYSA-N
XLogP5.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.83
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 5223974
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 100648412
N-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 69341997
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747
N-[[4-(carbamoylamino)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 46512922
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119266145
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 4782994
2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 8871375
4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120617133
1-(2,3-dichlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 4678007

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(1-methylcyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[[3-chloro-4-(1-methylcyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 69342971) is N-[[3-chloro-4-(1-methylcyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[[3-chloro-4-(1-methylcyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[[3-chloro-4-(1-methylcyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is CC1(c2ccc(CNC(=O)Cc3cccc(C(F)(F)F)c3)cc2Cl)CC1.
What is the InChIKey of N-[[3-chloro-4-(1-methylcyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UESYOXOTSVPPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3NO/c1-19(7-8-19)16-6-5-14(10-17(16)21)12-25-18(26)11-13-3-2-4-15(9-13)20(22,23)24/h2-6,9-10H,7-8,11-12H2,1H3,(H,25,26).
What are the key properties of N-[[3-chloro-4-(1-methylcyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[[3-chloro-4-(1-methylcyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 381.83 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(1-methylcyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 69342971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).