3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide

C14H19ClN2O — CID 107098400

IUPAC3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1c(Cl)cccc1C(=O)N(C)CC1CCCN1
InChIInChI=1S/C14H19ClN2O/c1-10-12(6-3-7-13(10)15)14(18)17(2)9-11-5-4-8-16-11/h3,6-7,11,16H,4-5,8-9H2,1-2H3
InChIKeyNZKFGHWUIQQUEE-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.47
Rot. Bonds3

About 3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide

3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 107098400) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID107098400
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1c(Cl)cccc1C(=O)N(C)CC1CCCN1
InChIInChI=1S/C14H19ClN2O/c1-10-12(6-3-7-13(10)15)14(18)17(2)9-11-5-4-8-16-11/h3,6-7,11,16H,4-5,8-9H2,1-2H3
InChIKeyNZKFGHWUIQQUEE-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608014
2-ethyl-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607295
5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607717
3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 107098372
3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107098061
2-hydroxy-3-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607936
2-chloro-N-methyl-6-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607682
N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106607724
2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607476
3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607655
4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608037
N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627337

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 107098400) is 3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide is Cc1c(Cl)cccc1C(=O)N(C)CC1CCCN1.
What is the InChIKey of 3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is NZKFGHWUIQQUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-12(6-3-7-13(10)15)14(18)17(2)9-11-5-4-8-16-11/h3,6-7,11,16H,4-5,8-9H2,1-2H3.
What are the key properties of 3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 266.77 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 107098400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).