N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide

C20H17ClF6N2O — CID 30823480

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESO=C(CN(Cc1ccc(C(F)(F)F)cc1)C1CC1)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C20H17ClF6N2O/c21-16-3-1-2-15(20(25,26)27)18(16)28-17(30)11-29(14-8-9-14)10-12-4-6-13(7-5-12)19(22,23)24/h1-7,14H,8-11H2,(H,28,30)
InChIKeyNZKQTFWTINSERQ-UHFFFAOYSA-N
MW450.81 g/mol
LogP5.98
Rot. Bonds6

About N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide

N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide (PubChem CID 30823480) has the molecular formula C20H17ClF6N2O and a molecular weight of 450.81 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
PubChem CID30823480
Molecular FormulaC20H17ClF6N2O
Molecular Weight450.81 g/mol
Exact Mass450.09
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESO=C(CN(Cc1ccc(C(F)(F)F)cc1)C1CC1)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C20H17ClF6N2O/c21-16-3-1-2-15(20(25,26)27)18(16)28-17(30)11-29(14-8-9-14)10-12-4-6-13(7-5-12)19(22,23)24/h1-7,14H,8-11H2,(H,28,30)
InChIKeyNZKQTFWTINSERQ-UHFFFAOYSA-N
XLogP5.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.81
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 35266299
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60841931
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
N-(3-chlorophenyl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 8872555
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide
CID 17489433
4-[2-chloro-6-(trifluoromethyl)anilino]-4-oxobutanoic acid
CID 43579669
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40605983
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 42975524
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide
CID 60514622
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915268
2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic acid
CID 60834197
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8977734

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide (CID 30823480) is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide is O=C(CN(Cc1ccc(C(F)(F)F)cc1)C1CC1)Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The InChIKey is NZKQTFWTINSERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF6N2O/c21-16-3-1-2-15(20(25,26)27)18(16)28-17(30)11-29(14-8-9-14)10-12-4-6-13(7-5-12)19(22,23)24/h1-7,14H,8-11H2,(H,28,30).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide has a molecular weight of 450.81 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 30823480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).