N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide

C13H14ClF3N2O — CID 60841931

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C13H14ClF3N2O/c14-10-3-1-2-9(13(15,16)17)12(10)19-11(20)7-18-6-8-4-5-8/h1-3,8,18H,4-7H2,(H,19,20)
InChIKeyKRKQLATVEHKYQM-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.30
Rot. Bonds5

About N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide

N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide (PubChem CID 60841931) has the molecular formula C13H14ClF3N2O and a molecular weight of 306.71 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide
PubChem CID60841931
Molecular FormulaC13H14ClF3N2O
Molecular Weight306.71 g/mol
Exact Mass306.07
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C13H14ClF3N2O/c14-10-3-1-2-9(13(15,16)17)12(10)19-11(20)7-18-6-8-4-5-8/h1-3,8,18H,4-7H2,(H,19,20)
InChIKeyKRKQLATVEHKYQM-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915268
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 78908846
2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119709174
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
2-(cyclopropylmethylamino)-N-(2,3-dichlorophenyl)acetamide
CID 60843168
N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
CID 60855933
4-[2-chloro-6-(trifluoromethyl)anilino]-4-oxobutanoic acid
CID 43579669
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide
CID 112804532
2-(2-cyclopentylethylamino)-N-(2,6-dichlorophenyl)acetamide
CID 60919366
(2S)-1-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910617
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79204589
N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide
CID 106025192

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide (CID 60841931) is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide is O=C(CNCC1CC1)Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide?
The InChIKey is KRKQLATVEHKYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O/c14-10-3-1-2-9(13(15,16)17)12(10)19-11(20)7-18-6-8-4-5-8/h1-3,8,18H,4-7H2,(H,19,20).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide?
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide has a molecular weight of 306.71 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 60841931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).