N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide

C16H13ClF3NO3 — CID 18892483

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO3/c1-23-12-4-3-5-13(24-2)14(12)15(22)21-11-7-6-9(17)8-10(11)16(18,19)20/h3-8H,1-2H3,(H,21,22)
InChIKeyQLCNIVUNGXVPBA-UHFFFAOYSA-N
MW359.73 g/mol
LogP4.63
Rot. Bonds4

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide (PubChem CID 18892483) has the molecular formula C16H13ClF3NO3 and a molecular weight of 359.73 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
PubChem CID18892483
Molecular FormulaC16H13ClF3NO3
Molecular Weight359.73 g/mol
Exact Mass359.05
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO3/c1-23-12-4-3-5-13(24-2)14(12)15(22)21-11-7-6-9(17)8-10(11)16(18,19)20/h3-8H,1-2H3,(H,21,22)
InChIKeyQLCNIVUNGXVPBA-UHFFFAOYSA-N
XLogP4.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.73
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
CID 108866565
N-[3-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 18908085
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea
CID 108992212
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103029050
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide
CID 46667030
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide
CID 2296321
2,3-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 2296110
(2-fluorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 3642626
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 109000723
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide (CID 18892483) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide?
The InChIKey is QLCNIVUNGXVPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO3/c1-23-12-4-3-5-13(24-2)14(12)15(22)21-11-7-6-9(17)8-10(11)16(18,19)20/h3-8H,1-2H3,(H,21,22).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide has a molecular weight of 359.73 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 18892483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).