N-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide

C15H12BrF2NO — CID 114307288

IUPACN-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1cccc(CBr)c1
InChIInChI=1S/C15H12BrF2NO/c16-9-11-2-1-3-12(6-11)19-15(20)8-10-4-5-13(17)14(18)7-10/h1-7H,8-9H2,(H,19,20)
InChIKeyDOZYKMQRRKFNBR-UHFFFAOYSA-N
MW340.17 g/mol
LogP4.04
Rot. Bonds4

About N-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide

N-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide (PubChem CID 114307288) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is N-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
PubChem CID114307288
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC NameN-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1cccc(CBr)c1
InChIInChI=1S/C15H12BrF2NO/c16-9-11-2-1-3-12(6-11)19-15(20)8-10-4-5-13(17)14(18)7-10/h1-7H,8-9H2,(H,19,20)
InChIKeyDOZYKMQRRKFNBR-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 54.04
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-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114310892
N-[3-(bromomethyl)phenyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 114307357
N-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114310266
N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 114307304
N-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 146022041
N-(4-amino-3-bromophenyl)-2-(3,4-difluorophenyl)acetamide
CID 82861408
2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide
CID 106909849
N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide
CID 114307296
N-[3-(bromomethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 114307276
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
CID 114307159
N-(3,4-difluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 43024786
N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 114307297

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide (CID 114307288) is N-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide is O=C(Cc1ccc(F)c(F)c1)Nc1cccc(CBr)c1.
What is the InChIKey of N-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide?
The InChIKey is DOZYKMQRRKFNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c16-9-11-2-1-3-12(6-11)19-15(20)8-10-4-5-13(17)14(18)7-10/h1-7H,8-9H2,(H,19,20).
What are the key properties of N-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide?
N-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide has a molecular weight of 340.17 g/mol, XLogP of 4.04, 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-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 114307288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).