N-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide

C15H12BrClFNO — CID 114315417

IUPACN-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide
SMILESCC(Br)c1ccccc1NC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C15H12BrClFNO/c1-9(16)11-4-2-3-5-14(11)19-15(20)12-8-10(17)6-7-13(12)18/h2-9H,1H3,(H,19,20)
InChIKeyBSGRCCXWGREXBI-UHFFFAOYSA-N
MW356.62 g/mol
LogP5.19
Rot. Bonds3

About N-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide

N-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide (PubChem CID 114315417) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is N-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide
PubChem CID114315417
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC NameN-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide
SMILESCC(Br)c1ccccc1NC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C15H12BrClFNO/c1-9(16)11-4-2-3-5-14(11)19-15(20)12-8-10(17)6-7-13(12)18/h2-9H,1H3,(H,19,20)
InChIKeyBSGRCCXWGREXBI-UHFFFAOYSA-N
XLogP5.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-bromoethyl)phenyl]-4-chloro-2-hydroxybenzamide
CID 114315522
2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 966223
N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315539
5-chloro-N-[2-(1-chloroethyl)phenyl]-2-hydroxybenzamide
CID 114304723
2,4-dichloro-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 43508509
4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315530
N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide
CID 113275866
N-[2-(1-bromoethyl)phenyl]-2,4,6-trimethylbenzamide
CID 114315452
N-(2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62509353
5-amino-2,4-difluoro-N-(2-propan-2-ylphenyl)benzamide
CID 61092146
N-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide
CID 114315449
N-(2-butan-2-ylphenyl)-2-chloro-4,5-difluorobenzamide
CID 4779890

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide?
The IUPAC name of N-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide (CID 114315417) is N-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide.
What is the SMILES notation for N-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide?
The canonical SMILES for N-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide is CC(Br)c1ccccc1NC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of N-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide?
The InChIKey is BSGRCCXWGREXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c1-9(16)11-4-2-3-5-14(11)19-15(20)12-8-10(17)6-7-13(12)18/h2-9H,1H3,(H,19,20).
What are the key properties of N-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide?
N-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide has a molecular weight of 356.62 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide is sourced from PubChem (CID 114315417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).