2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

C17H23BrN2O — CID 106608591

IUPAC2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)N(CC2CC2)CC2CCCN2)c(Br)c1
InChIInChI=1S/C17H23BrN2O/c1-12-4-7-15(16(18)9-12)17(21)20(10-13-5-6-13)11-14-3-2-8-19-14/h4,7,9,13-14,19H,2-3,5-6,8,10-11H2,1H3
InChIKeyBEDNJVIVDGKNHA-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.36
Rot. Bonds5

About 2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106608591) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is 2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106608591
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)N(CC2CC2)CC2CCCN2)c(Br)c1
InChIInChI=1S/C17H23BrN2O/c1-12-4-7-15(16(18)9-12)17(21)20(10-13-5-6-13)11-14-3-2-8-19-14/h4,7,9,13-14,19H,2-3,5-6,8,10-11H2,1H3
InChIKeyBEDNJVIVDGKNHA-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2-hydroxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608691
4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608555
2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide
CID 81002456
2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607476
5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608490
2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611361
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608439
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608308
2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971649
N-(cyclopropylmethyl)-2-hydroxy-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608359
2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107940286
N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 106608715

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106608591) is 2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is Cc1ccc(C(=O)N(CC2CC2)CC2CCCN2)c(Br)c1.
What is the InChIKey of 2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is BEDNJVIVDGKNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-12-4-7-15(16(18)9-12)17(21)20(10-13-5-6-13)11-14-3-2-8-19-14/h4,7,9,13-14,19H,2-3,5-6,8,10-11H2,1H3.
What are the key properties of 2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 351.29 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106608591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).