N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide

C16H10ClF6NO2 — CID 2268375

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C16H10ClF6NO2/c1-26-13-3-2-8(4-12(13)17)14(25)24-11-6-9(15(18,19)20)5-10(7-11)16(21,22)23/h2-7H,1H3,(H,24,25)
InChIKeyKWZIGDXUWSXAGW-UHFFFAOYSA-N
MW397.70 g/mol
LogP5.64
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide

N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide (PubChem CID 2268375) has the molecular formula C16H10ClF6NO2 and a molecular weight of 397.70 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide
PubChem CID2268375
Molecular FormulaC16H10ClF6NO2
Molecular Weight397.70 g/mol
Exact Mass397.03
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C16H10ClF6NO2/c1-26-13-3-2-8(4-12(13)17)14(25)24-11-6-9(15(18,19)20)5-10(7-11)16(21,22)23/h2-7H,1H3,(H,24,25)
InChIKeyKWZIGDXUWSXAGW-UHFFFAOYSA-N
XLogP5.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.70
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 44871489
[5-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-2-methoxyphenyl]-methanidylazanium
CID 21364356
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 2994955
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide
CID 17313445
3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 886628
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
methyl 3-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 53356057

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide (CID 2268375) is N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide?
The InChIKey is KWZIGDXUWSXAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF6NO2/c1-26-13-3-2-8(4-12(13)17)14(25)24-11-6-9(15(18,19)20)5-10(7-11)16(21,22)23/h2-7H,1H3,(H,24,25).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide has a molecular weight of 397.70 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide is sourced from PubChem (CID 2268375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).