N-[3-(bromomethyl)phenyl]-2-(2-chloro-6-fluorophenyl)acetamide

C15H12BrClFNO — CID 114307357

IUPACN-[3-(bromomethyl)phenyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1cccc(CBr)c1
InChIInChI=1S/C15H12BrClFNO/c16-9-10-3-1-4-11(7-10)19-15(20)8-12-13(17)5-2-6-14(12)18/h1-7H,8-9H2,(H,19,20)
InChIKeyMBKHOCUPDSZGBZ-UHFFFAOYSA-N
MW356.62 g/mol
LogP4.56
Rot. Bonds4

About N-[3-(bromomethyl)phenyl]-2-(2-chloro-6-fluorophenyl)acetamide

N-[3-(bromomethyl)phenyl]-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 114307357) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is N-[3-(bromomethyl)phenyl]-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)phenyl]-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID114307357
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC NameN-[3-(bromomethyl)phenyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1cccc(CBr)c1
InChIInChI=1S/C15H12BrClFNO/c16-9-10-3-1-4-11(7-10)19-15(20)8-12-13(17)5-2-6-14(12)18/h1-7H,8-9H2,(H,19,20)
InChIKeyMBKHOCUPDSZGBZ-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.62
LogP ≤ 54.56
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

2-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9165979
2-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)acetamide
CID 9413330
N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 114307297
N-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114307288
N-(4-amino-3,5-dichlorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 24535666
2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide
CID 114299939
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxyphenyl)acetamide
CID 28831544
N-(3-bromo-5-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 107583887
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014
2-(2-chloro-6-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7962141
2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 39001170
2-(2-chloro-6-fluorophenyl)-N-(2,5-dichlorophenyl)acetamide
CID 7899933

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)phenyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-[3-(bromomethyl)phenyl]-2-(2-chloro-6-fluorophenyl)acetamide (CID 114307357) is N-[3-(bromomethyl)phenyl]-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-(bromomethyl)phenyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-[3-(bromomethyl)phenyl]-2-(2-chloro-6-fluorophenyl)acetamide is O=C(Cc1c(F)cccc1Cl)Nc1cccc(CBr)c1.
What is the InChIKey of N-[3-(bromomethyl)phenyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is MBKHOCUPDSZGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c16-9-10-3-1-4-11(7-10)19-15(20)8-12-13(17)5-2-6-14(12)18/h1-7H,8-9H2,(H,19,20).
What are the key properties of N-[3-(bromomethyl)phenyl]-2-(2-chloro-6-fluorophenyl)acetamide?
N-[3-(bromomethyl)phenyl]-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 356.62 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)phenyl]-2-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 114307357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).