N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide

C14H10BrClFNO — CID 103478813

IUPACN-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2Br)ccc1F
InChIInChI=1S/C14H10BrClFNO/c1-8-7-9(5-6-11(8)17)14(19)18-12-4-2-3-10(16)13(12)15/h2-7H,1H3,(H,18,19)
InChIKeyHBCWGPWBBWCIHS-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.80
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide

N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide (PubChem CID 103478813) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide
PubChem CID103478813
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC NameN-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2Br)ccc1F
InChIInChI=1S/C14H10BrClFNO/c1-8-7-9(5-6-11(8)17)14(19)18-12-4-2-3-10(16)13(12)15/h2-7H,1H3,(H,18,19)
InChIKeyHBCWGPWBBWCIHS-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-3-chlorophenyl)-2,4-difluoro-5-methylbenzamide
CID 103480092
N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide
CID 103479730
N-(2-bromo-3-chlorophenyl)-3-chloro-5-methylbenzamide
CID 103479767
N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide
CID 107788752
N-(2-bromo-3-chlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 103481479
3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide
CID 107972381
N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 103479830
N-(3-bromophenyl)-4-fluoro-3-methylbenzamide
CID 63210603
N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 103753535
2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209935
N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide
CID 103480003
3-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
CID 103477081

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide (CID 103478813) is N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)Nc2cccc(Cl)c2Br)ccc1F.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide?
The InChIKey is HBCWGPWBBWCIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c1-8-7-9(5-6-11(8)17)14(19)18-12-4-2-3-10(16)13(12)15/h2-7H,1H3,(H,18,19).
What are the key properties of N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide?
N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide has a molecular weight of 342.60 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 103478813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).