N-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide

C16H15ClFNO — CID 6469057

IUPACN-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Cl)cc2F)c(C)c1
InChIInChI=1S/C16H15ClFNO/c1-9-6-10(2)15(11(3)7-9)16(20)19-14-5-4-12(17)8-13(14)18/h4-8H,1-3H3,(H,19,20)
InChIKeyDQIMINPVEVSJMY-UHFFFAOYSA-N
MW291.75 g/mol
LogP4.66
Rot. Bonds2

About N-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide

N-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide (PubChem CID 6469057) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide
PubChem CID6469057
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC NameN-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Cl)cc2F)c(C)c1
InChIInChI=1S/C16H15ClFNO/c1-9-6-10(2)15(11(3)7-9)16(20)19-14-5-4-12(17)8-13(14)18/h4-8H,1-3H3,(H,19,20)
InChIKeyDQIMINPVEVSJMY-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
CID 675121
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
N-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide
CID 43549842
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618
N-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide
CID 53267510
2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide
CID 80948575
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide
CID 26690340
2-N,6-N-bis(4-chloro-2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 3352552
N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide
CID 29008296
N-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide
CID 63257510
2,4,6-trimethyl-N-(2,4,6-trichlorophenyl)benzamide
CID 167943386

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide (CID 6469057) is N-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)Nc2ccc(Cl)cc2F)c(C)c1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide?
The InChIKey is DQIMINPVEVSJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-9-6-10(2)15(11(3)7-9)16(20)19-14-5-4-12(17)8-13(14)18/h4-8H,1-3H3,(H,19,20).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide?
N-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide has a molecular weight of 291.75 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 6469057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).