N-(2,3-dimethylphenyl)-2-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anilino]acetamide

C18H19F3N2O2 — CID 97259840

IUPACN-(2,3-dimethylphenyl)-2-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anilino]acetamide
SMILESCc1cccc(NC(=O)CNc2ccccc2[C@H](O)C(F)(F)F)c1C
InChIInChI=1S/C18H19F3N2O2/c1-11-6-5-9-14(12(11)2)23-16(24)10-22-15-8-4-3-7-13(15)17(25)18(19,20)21/h3-9,17,22,25H,10H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyFWVMVQYKFVEFMZ-KRWDZBQOSA-N
MW352.36 g/mol
LogP3.95
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anilino]acetamide

N-(2,3-dimethylphenyl)-2-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anilino]acetamide (PubChem CID 97259840) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anilino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anilino]acetamide
PubChem CID97259840
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC NameN-(2,3-dimethylphenyl)-2-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anilino]acetamide
SMILESCc1cccc(NC(=O)CNc2ccccc2[C@H](O)C(F)(F)F)c1C
InChIInChI=1S/C18H19F3N2O2/c1-11-6-5-9-14(12(11)2)23-16(24)10-22-15-8-4-3-7-13(15)17(25)18(19,20)21/h3-9,17,22,25H,10H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyFWVMVQYKFVEFMZ-KRWDZBQOSA-N
XLogP3.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-[2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]anilino]acetamide
CID 97259841
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705
N-(2-methylphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 42069296
2-(2,5-difluoroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 42069511
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2-benzylphenyl)-2-(2,3-dimethylanilino)acetamide
CID 9080869
2-(2,3-dihydroxypropylsulfanyl)-N-(2,3-dimethylphenyl)acetamide
CID 79682094
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31773740
N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide
CID 108951456
tert-butyl N-[2-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]carbamate
CID 22279063
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106324

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anilino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anilino]acetamide (CID 97259840) is N-(2,3-dimethylphenyl)-2-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anilino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anilino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anilino]acetamide is Cc1cccc(NC(=O)CNc2ccccc2[C@H](O)C(F)(F)F)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anilino]acetamide?
The InChIKey is FWVMVQYKFVEFMZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-11-6-5-9-14(12(11)2)23-16(24)10-22-15-8-4-3-7-13(15)17(25)18(19,20)21/h3-9,17,22,25H,10H2,1-2H3,(H,23,24)/t17-/m0/s1.
What are the key properties of N-(2,3-dimethylphenyl)-2-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anilino]acetamide?
N-(2,3-dimethylphenyl)-2-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anilino]acetamide has a molecular weight of 352.36 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anilino]acetamide is sourced from PubChem (CID 97259840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).