N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride

C16H22BrClN2O — CID 119715258

IUPACN-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)N(Cc1cccc(Br)c1)C1CC1
InChIInChI=1S/C16H21BrN2O.ClH/c17-13-4-1-3-12(9-13)11-19(15-6-7-15)16(20)10-14-5-2-8-18-14;/h1,3-4,9,14-15,18H,2,5-8,10-11H2;1H
InChIKeyKTWYQAJXFWDUJX-UHFFFAOYSA-N
MW373.72 g/mol
LogP3.50
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119715258) has the molecular formula C16H22BrClN2O and a molecular weight of 373.72 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119715258
Molecular FormulaC16H22BrClN2O
Molecular Weight373.72 g/mol
Exact Mass372.06
IUPAC NameN-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)N(Cc1cccc(Br)c1)C1CC1
InChIInChI=1S/C16H21BrN2O.ClH/c17-13-4-1-3-12(9-13)11-19(15-6-7-15)16(20)10-14-5-2-8-18-14;/h1,3-4,9,14-15,18H,2,5-8,10-11H2;1H
InChIKeyKTWYQAJXFWDUJX-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119715466
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119692035
N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride
CID 119284886
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride
CID 119715240
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61363682
N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61365638
N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119783040
3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride
CID 120608805
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61364086
(2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717187
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide
CID 112817182
2-(4-bromophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974020

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119715258) is N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride is Cl.O=C(CC1CCCN1)N(Cc1cccc(Br)c1)C1CC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is KTWYQAJXFWDUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O.ClH/c17-13-4-1-3-12(9-13)11-19(15-6-7-15)16(20)10-14-5-2-8-18-14;/h1,3-4,9,14-15,18H,2,5-8,10-11H2;1H.
What are the key properties of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 373.72 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119715258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).