2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

C16H21BrN2O — CID 107983259

IUPAC2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1cccc(C(=O)N(CC2CCCN2)C2CC2)c1Br
InChIInChI=1S/C16H21BrN2O/c1-11-4-2-6-14(15(11)17)16(20)19(13-7-8-13)10-12-5-3-9-18-12/h2,4,6,12-13,18H,3,5,7-10H2,1H3
InChIKeyWYEITJZNJKLEKY-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.11
Rot. Bonds4

About 2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 107983259) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID107983259
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1cccc(C(=O)N(CC2CCCN2)C2CC2)c1Br
InChIInChI=1S/C16H21BrN2O/c1-11-4-2-6-14(15(11)17)16(20)19(13-7-8-13)10-12-5-3-9-18-12/h2,4,6,12-13,18H,3,5,7-10H2,1H3
InChIKeyWYEITJZNJKLEKY-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107983263
2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107983269
2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106855243
N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974147
2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
CID 103853497
2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103857135
2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide
CID 107983067
2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609343
2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610027
N-(cyclopropylmethyl)-2-hydroxy-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608359
2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 107983274
N-cyclopropyl-2-hydroxy-4-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627042

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 107983259) is 2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is Cc1cccc(C(=O)N(CC2CCCN2)C2CC2)c1Br.
What is the InChIKey of 2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is WYEITJZNJKLEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-11-4-2-6-14(15(11)17)16(20)19(13-7-8-13)10-12-5-3-9-18-12/h2,4,6,12-13,18H,3,5,7-10H2,1H3.
What are the key properties of 2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 337.26 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 107983259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).