N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide

C15H14ClF5N4O — CID 16577066

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1nccn1C(F)F
InChIInChI=1S/C15H14ClF5N4O/c1-24(7-12-22-4-5-25(12)14(17)18)8-13(26)23-9-2-3-11(16)10(6-9)15(19,20)21/h2-6,14H,7-8H2,1H3,(H,23,26)
InChIKeyAQTGCQUUYPXVFO-UHFFFAOYSA-N
MW396.75 g/mol
LogP4.02
Rot. Bonds6

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide (PubChem CID 16577066) has the molecular formula C15H14ClF5N4O and a molecular weight of 396.75 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide
PubChem CID16577066
Molecular FormulaC15H14ClF5N4O
Molecular Weight396.75 g/mol
Exact Mass396.08
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1nccn1C(F)F
InChIInChI=1S/C15H14ClF5N4O/c1-24(7-12-22-4-5-25(12)14(17)18)8-13(26)23-9-2-3-11(16)10(6-9)15(19,20)21/h2-6,14H,7-8H2,1H3,(H,23,26)
InChIKeyAQTGCQUUYPXVFO-UHFFFAOYSA-N
XLogP4.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.75
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide with MolForge

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Related Compounds

2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 38302528
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N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333443
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide
CID 71910064
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 27217285
2-[(2-amino-2-methylpropyl)-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 120847415
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2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide
CID 87013837
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 683122
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711413
N-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide
CID 38354927
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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide (CID 16577066) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide is CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1nccn1C(F)F.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide?
The InChIKey is AQTGCQUUYPXVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF5N4O/c1-24(7-12-22-4-5-25(12)14(17)18)8-13(26)23-9-2-3-11(16)10(6-9)15(19,20)21/h2-6,14H,7-8H2,1H3,(H,23,26).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide has a molecular weight of 396.75 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 16577066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).