N-[(2-fluorophenyl)methyl]carbamoyl bromide

C8H7BrFNO — CID 115193660

IUPACN-[(2-fluorophenyl)methyl]carbamoyl bromide
SMILESO=C(Br)NCc1ccccc1F
InChIInChI=1S/C8H7BrFNO/c9-8(12)11-5-6-3-1-2-4-7(6)10/h1-4H,5H2,(H,11,12)
InChIKeyIXTZAQGYZXGMTJ-UHFFFAOYSA-N
MW232.05 g/mol
LogP2.43
Rot. Bonds2

About N-[(2-fluorophenyl)methyl]carbamoyl bromide

N-[(2-fluorophenyl)methyl]carbamoyl bromide (PubChem CID 115193660) has the molecular formula C8H7BrFNO and a molecular weight of 232.05 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]carbamoyl bromide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]carbamoyl bromide
PubChem CID115193660
Molecular FormulaC8H7BrFNO
Molecular Weight232.05 g/mol
Exact Mass230.97
IUPAC NameN-[(2-fluorophenyl)methyl]carbamoyl bromide
SMILESO=C(Br)NCc1ccccc1F
InChIInChI=1S/C8H7BrFNO/c9-8(12)11-5-6-3-1-2-4-7(6)10/h1-4H,5H2,(H,11,12)
InChIKeyIXTZAQGYZXGMTJ-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-[(2-fluorophenyl)methyl]carbamoyl bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide
CID 82109819
N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 115139087
5-bromo-N-[(2-fluorophenyl)methyl]-2-hydroxybenzamide
CID 27163577
2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide
CID 79796502
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
(E)-4-[(2-fluorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 43397099
2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
3-[(2-fluorophenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114897168
(2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide
CID 79025489
N-[(2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
CID 8571246
2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
CID 43465750

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]carbamoyl bromide?
The IUPAC name of N-[(2-fluorophenyl)methyl]carbamoyl bromide (CID 115193660) is N-[(2-fluorophenyl)methyl]carbamoyl bromide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]carbamoyl bromide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]carbamoyl bromide is O=C(Br)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]carbamoyl bromide?
The InChIKey is IXTZAQGYZXGMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO/c9-8(12)11-5-6-3-1-2-4-7(6)10/h1-4H,5H2,(H,11,12).
What are the key properties of N-[(2-fluorophenyl)methyl]carbamoyl bromide?
N-[(2-fluorophenyl)methyl]carbamoyl bromide has a molecular weight of 232.05 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]carbamoyl bromide is sourced from PubChem (CID 115193660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).