N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-3-chloro-2-methylbenzamide

C22H14ClF6NO — CID 11248112

IUPACN-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-3-chloro-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1
InChIInChI=1S/C22H14ClF6NO/c1-12-16(3-2-4-19(12)23)20(31)30-15-8-5-13(6-9-15)17-11-14(21(24,25)26)7-10-18(17)22(27,28)29/h2-11H,1H3,(H,30,31)
InChIKeyARBSTFMOMBBEPA-UHFFFAOYSA-N
MW457.80 g/mol
LogP7.61
Rot. Bonds3

About N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-3-chloro-2-methylbenzamide

N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-3-chloro-2-methylbenzamide (PubChem CID 11248112) has the molecular formula C22H14ClF6NO and a molecular weight of 457.80 g/mol. Its IUPAC name is N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-3-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-3-chloro-2-methylbenzamide
PubChem CID11248112
Molecular FormulaC22H14ClF6NO
Molecular Weight457.80 g/mol
Exact Mass457.07
IUPAC NameN-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-3-chloro-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1
InChIInChI=1S/C22H14ClF6NO/c1-12-16(3-2-4-19(12)23)20(31)30-15-8-5-13(6-9-15)17-11-14(21(24,25)26)7-10-18(17)22(27,28)29/h2-11H,1H3,(H,30,31)
InChIKeyARBSTFMOMBBEPA-UHFFFAOYSA-N
XLogP7.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.80
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide
CID 11430575
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide
CID 107097222
3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 107097234
N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide
CID 107096907
2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid
CID 71086455
3-chloro-2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 107098171
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 24657539
2-hydroxy-1-N,3-N-bis[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 155920070
N-(3-aminophenyl)-3-chloro-2-methylbenzamide
CID 110484087
4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 107095827
3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide
CID 107143571

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-3-chloro-2-methylbenzamide?
The IUPAC name of N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-3-chloro-2-methylbenzamide (CID 11248112) is N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-3-chloro-2-methylbenzamide.
What is the SMILES notation for N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-3-chloro-2-methylbenzamide?
The canonical SMILES for N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-3-chloro-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-3-chloro-2-methylbenzamide?
The InChIKey is ARBSTFMOMBBEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF6NO/c1-12-16(3-2-4-19(12)23)20(31)30-15-8-5-13(6-9-15)17-11-14(21(24,25)26)7-10-18(17)22(27,28)29/h2-11H,1H3,(H,30,31).
What are the key properties of N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-3-chloro-2-methylbenzamide?
N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-3-chloro-2-methylbenzamide has a molecular weight of 457.80 g/mol, XLogP of 7.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-3-chloro-2-methylbenzamide is sourced from PubChem (CID 11248112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).