2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide

C14H19BrN2O — CID 106607476

IUPAC2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1ccc(Br)c(C(=O)N(C)CC2CCCN2)c1
InChIInChI=1S/C14H19BrN2O/c1-10-5-6-13(15)12(8-10)14(18)17(2)9-11-4-3-7-16-11/h5-6,8,11,16H,3-4,7,9H2,1-2H3
InChIKeyPWPMJLQKHSDXMO-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.58
Rot. Bonds3

About 2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide

2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106607476) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106607476
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1ccc(Br)c(C(=O)N(C)CC2CCCN2)c1
InChIInChI=1S/C14H19BrN2O/c1-10-5-6-13(15)12(8-10)14(18)17(2)9-11-4-3-7-16-11/h5-6,8,11,16H,3-4,7,9H2,1-2H3
InChIKeyPWPMJLQKHSDXMO-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzamide
CID 106607367
4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608037
2-bromo-N-methyl-5-nitro-N-(piperidin-2-ylmethyl)benzamide
CID 106627285
5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607717
N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 106607339
2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608591
2-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608014
2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide
CID 81117729
2-ethyl-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607295
3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107098400
5-chloro-2-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607639
2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607384

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106607476) is 2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide is Cc1ccc(Br)c(C(=O)N(C)CC2CCCN2)c1.
What is the InChIKey of 2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is PWPMJLQKHSDXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-5-6-13(15)12(8-10)14(18)17(2)9-11-4-3-7-16-11/h5-6,8,11,16H,3-4,7,9H2,1-2H3.
What are the key properties of 2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 311.22 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106607476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).