N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide

C12H14ClF3N2O — CID 2427329

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H14ClF3N2O/c1-7(2)17-6-11(19)18-10-4-3-8(13)5-9(10)12(14,15)16/h3-5,7,17H,6H2,1-2H3,(H,18,19)
InChIKeyIBITXMVJDMMHGI-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.30
Rot. Bonds4

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide (PubChem CID 2427329) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
PubChem CID2427329
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H14ClF3N2O/c1-7(2)17-6-11(19)18-10-4-3-8(13)5-9(10)12(14,15)16/h3-5,7,17H,6H2,1-2H3,(H,18,19)
InChIKeyIBITXMVJDMMHGI-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915256
4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 81070111
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012899
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687206
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,5-difluoroanilino)acetamide
CID 35823651
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 26437919
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methoxy-5-methylanilino)acetamide
CID 2516960
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79195644
ethyl 4-[4-chloro-2-(trifluoromethyl)anilino]-4-oxobutanoate
CID 60660652

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide (CID 2427329) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is IBITXMVJDMMHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-7(2)17-6-11(19)18-10-4-3-8(13)5-9(10)12(14,15)16/h3-5,7,17H,6H2,1-2H3,(H,18,19).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 294.70 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 2427329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).