5-bromo-4-chloro-N-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbenzamide

C15H10BrClF3NO — CID 171463750

IUPAC5-bromo-4-chloro-N-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbenzamide
SMILESCc1c(F)c(C(=O)NCc2ccc(F)c(F)c2)cc(Br)c1Cl
InChIInChI=1S/C15H10BrClF3NO/c1-7-13(17)10(16)5-9(14(7)20)15(22)21-6-8-2-3-11(18)12(19)4-8/h2-5H,6H2,1H3,(H,21,22)
InChIKeyGHCAFPGSZMPENL-UHFFFAOYSA-N
MW392.60 g/mol
LogP4.76
Rot. Bonds3

About 5-bromo-4-chloro-N-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbenzamide

5-bromo-4-chloro-N-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbenzamide (PubChem CID 171463750) has the molecular formula C15H10BrClF3NO and a molecular weight of 392.60 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbenzamide
PubChem CID171463750
Molecular FormulaC15H10BrClF3NO
Molecular Weight392.60 g/mol
Exact Mass390.96
IUPAC Name5-bromo-4-chloro-N-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbenzamide
SMILESCc1c(F)c(C(=O)NCc2ccc(F)c(F)c2)cc(Br)c1Cl
InChIInChI=1S/C15H10BrClF3NO/c1-7-13(17)10(16)5-9(14(7)20)15(22)21-6-8-2-3-11(18)12(19)4-8/h2-5H,6H2,1H3,(H,21,22)
InChIKeyGHCAFPGSZMPENL-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.60
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[(3,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 60739890
5-amino-N-[(3,4-difluorophenyl)methyl]-2,4-dimethylbenzamide
CID 102705403
3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide
CID 115930472
5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide
CID 103612091
4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81227434
3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 66482974
2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide
CID 80978985
2,5-dibromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide
CID 113237311
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80718402
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678
2-amino-N-[(4-chlorophenyl)methyl]-5-fluorobenzamide
CID 43245704

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-bromo-4-chloro-N-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbenzamide (CID 171463750) is 5-bromo-4-chloro-N-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-bromo-4-chloro-N-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-bromo-4-chloro-N-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbenzamide is Cc1c(F)c(C(=O)NCc2ccc(F)c(F)c2)cc(Br)c1Cl.
What is the InChIKey of 5-bromo-4-chloro-N-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbenzamide?
The InChIKey is GHCAFPGSZMPENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF3NO/c1-7-13(17)10(16)5-9(14(7)20)15(22)21-6-8-2-3-11(18)12(19)4-8/h2-5H,6H2,1H3,(H,21,22).
What are the key properties of 5-bromo-4-chloro-N-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbenzamide?
5-bromo-4-chloro-N-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbenzamide has a molecular weight of 392.60 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 171463750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).