4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide

C14H12BrFN2O — CID 43401146

IUPAC4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C14H12BrFN2O/c1-18(9-10-3-2-6-17-8-10)14(19)12-5-4-11(15)7-13(12)16/h2-8H,9H2,1H3
InChIKeyJWPNGEDWHGJIDN-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.26
Rot. Bonds3

About 4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide

4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 43401146) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID43401146
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C14H12BrFN2O/c1-18(9-10-3-2-6-17-8-10)14(19)12-5-4-11(15)7-13(12)16/h2-8H,9H2,1H3
InChIKeyJWPNGEDWHGJIDN-UHFFFAOYSA-N
XLogP3.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 60728865
2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 63109669
5-bromo-N-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 86980541
2-bromo-N,3-dimethyl-N-(pyridin-3-ylmethyl)benzamide
CID 103852811
N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79770462
4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63940212
4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 116528118
2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 47097163
2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 103885272
4-bromo-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47120153
5-fluoro-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 60876600

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 43401146) is 4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide is CN(Cc1cccnc1)C(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is JWPNGEDWHGJIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-18(9-10-3-2-6-17-8-10)14(19)12-5-4-11(15)7-13(12)16/h2-8H,9H2,1H3.
What are the key properties of 4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 323.17 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 43401146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).