N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride

C12H16Cl2N2O — CID 2917131

IUPACN-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H15ClN2O.ClH/c13-10-4-3-5-11(8-10)14-12(16)9-15-6-1-2-7-15;/h3-5,8H,1-2,6-7,9H2,(H,14,16);1H
InChIKeyAXKRNFGIYYAYDS-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.80
Rot. Bonds3

About N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride

N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride (PubChem CID 2917131) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
PubChem CID2917131
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC NameN-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H15ClN2O.ClH/c13-10-4-3-5-11(8-10)14-12(16)9-15-6-1-2-7-15;/h3-5,8H,1-2,6-7,9H2,(H,14,16);1H
InChIKeyAXKRNFGIYYAYDS-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide
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N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 95622494
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
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N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
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2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119933944
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120728109
N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 55023239
N-(3-chlorophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115304932
2-[1-[2-(3-chloroanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79611325
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814595
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CID 2958639

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The IUPAC name of N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride (CID 2917131) is N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride is Cl.O=C(CN1CCCC1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The InChIKey is AXKRNFGIYYAYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O.ClH/c13-10-4-3-5-11(8-10)14-12(16)9-15-6-1-2-7-15;/h3-5,8H,1-2,6-7,9H2,(H,14,16);1H.
What are the key properties of N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride has a molecular weight of 275.18 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 2917131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).