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

C14H18BrFN2O — CID 107956374

IUPAC3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide
SMILESCN(CC1CCCCN1)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H18BrFN2O/c1-18(9-11-4-2-3-7-17-11)14(19)10-5-6-13(16)12(15)8-10/h5-6,8,11,17H,2-4,7,9H2,1H3
InChIKeyWQAMKRDELJAQIK-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.80
Rot. Bonds3

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

3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide (PubChem CID 107956374) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide
PubChem CID107956374
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide
SMILESCN(CC1CCCCN1)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H18BrFN2O/c1-18(9-11-4-2-3-7-17-11)14(19)10-5-6-13(16)12(15)8-10/h5-6,8,11,17H,2-4,7,9H2,1H3
InChIKeyWQAMKRDELJAQIK-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 106627264
3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607828
2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607384
3,4-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)benzamide
CID 43187173
3,5-dihydroxy-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107705334
3-(dimethylamino)-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627555
3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607655
2,4,6-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607688
2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607476
4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625701
4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608037
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608439

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide (CID 107956374) is 3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide is CN(CC1CCCCN1)C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide?
The InChIKey is WQAMKRDELJAQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-18(9-11-4-2-3-7-17-11)14(19)10-5-6-13(16)12(15)8-10/h5-6,8,11,17H,2-4,7,9H2,1H3.
What are the key properties of 3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide?
3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide has a molecular weight of 329.21 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide is sourced from PubChem (CID 107956374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).