N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide

C12H13ClF3NO2 — CID 103029050

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H13ClF3NO2/c1-11(2,19-3)10(18)17-9-5-4-7(13)6-8(9)12(14,15)16/h4-6H,1-3H3,(H,17,18)
InChIKeyMXAXKKDNSQIUKA-UHFFFAOYSA-N
MW295.69 g/mol
LogP3.72
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide (PubChem CID 103029050) has the molecular formula C12H13ClF3NO2 and a molecular weight of 295.69 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
PubChem CID103029050
Molecular FormulaC12H13ClF3NO2
Molecular Weight295.69 g/mol
Exact Mass295.06
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H13ClF3NO2/c1-11(2,19-3)10(18)17-9-5-4-7(13)6-8(9)12(14,15)16/h4-6H,1-3H3,(H,17,18)
InChIKeyMXAXKKDNSQIUKA-UHFFFAOYSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287302
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 79796494
N-(4-chloro-2-iodophenyl)-2-methoxy-2-methylpropanamide
CID 103766777
1-tert-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108896918
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
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N-(4-chloro-2-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 103028854
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
CID 108866565
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
CID 3867881
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea
CID 108992212
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CID 108530055

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide (CID 103029050) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide?
The InChIKey is MXAXKKDNSQIUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO2/c1-11(2,19-3)10(18)17-9-5-4-7(13)6-8(9)12(14,15)16/h4-6H,1-3H3,(H,17,18).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide has a molecular weight of 295.69 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103029050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).