4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide

C10H11BrFNO — CID 135152216

IUPAC4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CBr)c(F)c1
InChIInChI=1S/C10H11BrFNO/c1-13(2)10(14)7-3-4-8(6-11)9(12)5-7/h3-5H,6H2,1-2H3
InChIKeyPYIMOUSOKWDWJM-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.42
Rot. Bonds2

About 4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide

4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide (PubChem CID 135152216) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide
PubChem CID135152216
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CBr)c(F)c1
InChIInChI=1S/C10H11BrFNO/c1-13(2)10(14)7-3-4-8(6-11)9(12)5-7/h3-5H,6H2,1-2H3
InChIKeyPYIMOUSOKWDWJM-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid
CID 70501184
4-aminosulfanyl-3-fluoro-N,N-dimethylbenzamide;ethane
CID 142522795
4-ethyl-N,N,3-trimethylbenzamide
CID 150723672
butyl 4-(bromomethyl)-3-fluorobenzoate
CID 126546035
3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide
CID 137443191
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide
CID 167530331
4-[(dimethylamino)methyl]-3-fluorobenzoic acid
CID 63068051
4-(chloromethyl)-N,N-diethyl-3-fluorobenzamide
CID 155140398
N-[amino-[4-(bromomethyl)-3-fluorophenyl]methylidene]formamide
CID 90879072
N-(2-bromoethyl)-3,4-difluoro-N-propan-2-ylbenzamide
CID 80665985
[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 87890157
1-[4-[[bis[[4-(2,2-dimethylpropanoyl)-2-fluorophenyl]methyl]amino]methyl]-3-fluorophenyl]-2,2-dimethylpropan-1-one
CID 54486596

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide (CID 135152216) is 4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CBr)c(F)c1.
What is the InChIKey of 4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide?
The InChIKey is PYIMOUSOKWDWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-13(2)10(14)7-3-4-8(6-11)9(12)5-7/h3-5H,6H2,1-2H3.
What are the key properties of 4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide?
4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide has a molecular weight of 260.11 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 135152216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).