5-chloro-2-methoxy-4-(trifluoromethyl)benzamide

C9H7ClF3NO2 — CID 171007477

IUPAC5-chloro-2-methoxy-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)c(Cl)cc1C(N)=O
InChIInChI=1S/C9H7ClF3NO2/c1-16-7-3-5(9(11,12)13)6(10)2-4(7)8(14)15/h2-3H,1H3,(H2,14,15)
InChIKeyYESFOMKWTYEGLC-UHFFFAOYSA-N
MW253.61 g/mol
LogP2.47
Rot. Bonds2

About 5-chloro-2-methoxy-4-(trifluoromethyl)benzamide

5-chloro-2-methoxy-4-(trifluoromethyl)benzamide (PubChem CID 171007477) has the molecular formula C9H7ClF3NO2 and a molecular weight of 253.61 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-(trifluoromethyl)benzamide
PubChem CID171007477
Molecular FormulaC9H7ClF3NO2
Molecular Weight253.61 g/mol
Exact Mass253.01
IUPAC Name5-chloro-2-methoxy-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)c(Cl)cc1C(N)=O
InChIInChI=1S/C9H7ClF3NO2/c1-16-7-3-5(9(11,12)13)6(10)2-4(7)8(14)15/h2-3H,1H3,(H2,14,15)
InChIKeyYESFOMKWTYEGLC-UHFFFAOYSA-N
XLogP2.47
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-4-(trifluoromethyl)benzamide
CID 168990948
2-chloro-1-[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 171028463
5-chloro-2-(2-ethoxyethenyl)-4-(trifluoromethyl)benzamide
CID 175813709
2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214
4,5-bis[(1S)-1-fluoro-1-hydroxy-2-methylpropan-2-yl]-2-methoxybenzamide
CID 166706703
5-chloro-4-methoxy-2-(methylamino)benzamide
CID 170992570
5-methoxy-2,3-bis(trifluoromethyl)benzamide
CID 118854542
5-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-2-methoxybenzamide
CID 56952743
4-chloro-2-methoxybenzamide
CID 19741766
2,5-dimethoxy-4-methylbenzamide
CID 82491295
5-amino-2-chloro-4-(trifluoromethyl)benzamide
CID 131460554
4-amino-5-fluoro-2-methoxybenzamide
CID 124706175

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-(trifluoromethyl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-4-(trifluoromethyl)benzamide (CID 171007477) is 5-chloro-2-methoxy-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-4-(trifluoromethyl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-4-(trifluoromethyl)benzamide is COc1cc(C(F)(F)F)c(Cl)cc1C(N)=O.
What is the InChIKey of 5-chloro-2-methoxy-4-(trifluoromethyl)benzamide?
The InChIKey is YESFOMKWTYEGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO2/c1-16-7-3-5(9(11,12)13)6(10)2-4(7)8(14)15/h2-3H,1H3,(H2,14,15).
What are the key properties of 5-chloro-2-methoxy-4-(trifluoromethyl)benzamide?
5-chloro-2-methoxy-4-(trifluoromethyl)benzamide has a molecular weight of 253.61 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 171007477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).