N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide

C13H18ClN3O — CID 81493727

IUPACN-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
SMILESCNC1CCN(CC(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClN3O/c1-15-12-6-7-17(8-12)9-13(18)16-11-4-2-10(14)3-5-11/h2-5,12,15H,6-9H2,1H3,(H,16,18)
InChIKeyMKLAXCPHWNBNMA-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.57
Rot. Bonds4

About N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide

N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide (PubChem CID 81493727) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
PubChem CID81493727
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC NameN-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
SMILESCNC1CCN(CC(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClN3O/c1-15-12-6-7-17(8-12)9-13(18)16-11-4-2-10(14)3-5-11/h2-5,12,15H,6-9H2,1H3,(H,16,18)
InChIKeyMKLAXCPHWNBNMA-UHFFFAOYSA-N
XLogP1.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 22448041
N-(3,4-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545984
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829
N-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923478
N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493231
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide
CID 119918337
N-(4-chlorophenyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
CID 114500174
N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924493
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride
CID 119918336
N-(2,5-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545625
2-[3-(methylamino)piperidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 119919788
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide (CID 81493727) is N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide is CNC1CCN(CC(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide?
The InChIKey is MKLAXCPHWNBNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-15-12-6-7-17(8-12)9-13(18)16-11-4-2-10(14)3-5-11/h2-5,12,15H,6-9H2,1H3,(H,16,18).
What are the key properties of N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide?
N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide has a molecular weight of 267.76 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 81493727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).