N-(4-bromo-2-chlorophenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide

C16H12BrClF3NO2 — CID 24586847

IUPACN-(4-bromo-2-chlorophenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1Cl)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C16H12BrClF3NO2/c17-12-5-6-14(13(18)7-12)22-15(23)11-3-1-10(2-4-11)8-24-9-16(19,20)21/h1-7H,8-9H2,(H,22,23)
InChIKeyMACDLVAUWVJESH-UHFFFAOYSA-N
MW422.63 g/mol
LogP5.43
Rot. Bonds5

About N-(4-bromo-2-chlorophenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-(4-bromo-2-chlorophenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 24586847) has the molecular formula C16H12BrClF3NO2 and a molecular weight of 422.63 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID24586847
Molecular FormulaC16H12BrClF3NO2
Molecular Weight422.63 g/mol
Exact Mass420.97
IUPAC NameN-(4-bromo-2-chlorophenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1Cl)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C16H12BrClF3NO2/c17-12-5-6-14(13(18)7-12)22-15(23)11-3-1-10(2-4-11)8-24-9-16(19,20)21/h1-7H,8-9H2,(H,22,23)
InChIKeyMACDLVAUWVJESH-UHFFFAOYSA-N
XLogP5.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.63
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
methyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate
CID 26239580
[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl] propanoate
CID 2993801
4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64786775
2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46451358
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide
CID 17102278
N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide
CID 8863043
3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 46699470
4-bromo-N-(2-chloro-4-iodophenyl)benzamide
CID 47183104
N-(4-bromo-2-chlorophenyl)-2-(4-bromophenyl)acetamide
CID 7924446
N-(4-bromo-2-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17313577
5-[(4-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 113432204

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 24586847) is N-(4-bromo-2-chlorophenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide is O=C(Nc1ccc(Br)cc1Cl)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is MACDLVAUWVJESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClF3NO2/c17-12-5-6-14(13(18)7-12)22-15(23)11-3-1-10(2-4-11)8-24-9-16(19,20)21/h1-7H,8-9H2,(H,22,23).
What are the key properties of N-(4-bromo-2-chlorophenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-(4-bromo-2-chlorophenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 422.63 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 24586847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).