3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide

C14H19ClN2O — CID 107098061

IUPAC3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
SMILESCc1c(Cl)cccc1C(=O)NCC1CCCCN1
InChIInChI=1S/C14H19ClN2O/c1-10-12(6-4-7-13(10)15)14(18)17-9-11-5-2-3-8-16-11/h4,6-7,11,16H,2-3,5,8-9H2,1H3,(H,17,18)
InChIKeyNDUPEOBZZQPWOM-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.52
Rot. Bonds3

About 3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide

3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide (PubChem CID 107098061) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
PubChem CID107098061
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
SMILESCc1c(Cl)cccc1C(=O)NCC1CCCCN1
InChIInChI=1S/C14H19ClN2O/c1-10-12(6-4-7-13(10)15)14(18)17-9-11-5-2-3-8-16-11/h4,6-7,11,16H,2-3,5,8-9H2,1H3,(H,17,18)
InChIKeyNDUPEOBZZQPWOM-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 107098372
2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
CID 91841478
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-methylbenzamide
CID 107100189
3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107098400
3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
CID 66484559
3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine
CID 143582754
3-chloro-2-methyl-N-(2-methylpiperidin-3-yl)benzamide
CID 107098369
5-fluoro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 55182007
3-methyl-2-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62540214
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride
CID 84586603
1-hydroxy-N-(piperidin-2-ylmethyl)naphthalene-2-carboxamide
CID 43185174

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide?
The IUPAC name of 3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide (CID 107098061) is 3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide is Cc1c(Cl)cccc1C(=O)NCC1CCCCN1.
What is the InChIKey of 3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide?
The InChIKey is NDUPEOBZZQPWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-12(6-4-7-13(10)15)14(18)17-9-11-5-2-3-8-16-11/h4,6-7,11,16H,2-3,5,8-9H2,1H3,(H,17,18).
What are the key properties of 3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide?
3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide has a molecular weight of 266.77 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide is sourced from PubChem (CID 107098061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).