N-(4-bromophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide

C16H22BrN3O — CID 103519927

IUPACN-(4-bromophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESO=C(CN(CC1CCCN1)C1CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H22BrN3O/c17-12-3-5-13(6-4-12)19-16(21)11-20(15-7-8-15)10-14-2-1-9-18-14/h3-6,14-15,18H,1-2,7-11H2,(H,19,21)
InChIKeyRQMUHVISMXVLEY-UHFFFAOYSA-N
MW352.28 g/mol
LogP2.60
Rot. Bonds6

About N-(4-bromophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide

N-(4-bromophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide (PubChem CID 103519927) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide
PubChem CID103519927
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC NameN-(4-bromophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESO=C(CN(CC1CCCN1)C1CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H22BrN3O/c17-12-3-5-13(6-4-12)19-16(21)11-20(15-7-8-15)10-14-2-1-9-18-14/h3-6,14-15,18H,1-2,7-11H2,(H,19,21)
InChIKeyRQMUHVISMXVLEY-UHFFFAOYSA-N
XLogP2.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615116
N-(2-chlorophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 104979253
N-(4-bromophenyl)-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 60911559
N-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106617853
N-(4-fluorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615599
N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616029
2-(4-bromophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974020
2-[acetyl(cyclopropyl)amino]-N-(4-bromophenyl)acetamide
CID 113158424
2-[azepan-4-yl(methyl)amino]-N-(4-bromophenyl)acetamide
CID 104979596
2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 106599752
N-(4-fluorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614350
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide (CID 103519927) is N-(4-bromophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide is O=C(CN(CC1CCCN1)C1CC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The InChIKey is RQMUHVISMXVLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c17-12-3-5-13(6-4-12)19-16(21)11-20(15-7-8-15)10-14-2-1-9-18-14/h3-6,14-15,18H,1-2,7-11H2,(H,19,21).
What are the key properties of N-(4-bromophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide?
N-(4-bromophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide has a molecular weight of 352.28 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 103519927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).