N-(2-chlorophenyl)-2-[(1-methylpyrrolidin-3-yl)amino]acetamide

C13H18ClN3O — CID 54950079

IUPACN-(2-chlorophenyl)-2-[(1-methylpyrrolidin-3-yl)amino]acetamide
SMILESCN1CCC(NCC(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C13H18ClN3O/c1-17-7-6-10(9-17)15-8-13(18)16-12-5-3-2-4-11(12)14/h2-5,10,15H,6-9H2,1H3,(H,16,18)
InChIKeyJLSUARWAODNUAV-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.57
Rot. Bonds4

About N-(2-chlorophenyl)-2-[(1-methylpyrrolidin-3-yl)amino]acetamide

N-(2-chlorophenyl)-2-[(1-methylpyrrolidin-3-yl)amino]acetamide (PubChem CID 54950079) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(1-methylpyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(1-methylpyrrolidin-3-yl)amino]acetamide
PubChem CID54950079
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC NameN-(2-chlorophenyl)-2-[(1-methylpyrrolidin-3-yl)amino]acetamide
SMILESCN1CCC(NCC(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C13H18ClN3O/c1-17-7-6-10(9-17)15-8-13(18)16-12-5-3-2-4-11(12)14/h2-5,10,15H,6-9H2,1H3,(H,16,18)
InChIKeyJLSUARWAODNUAV-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-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 62975578
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N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110858756
N-(2-chlorophenyl)-2-[(3-methylcyclohexyl)amino]acetamide
CID 43317886
N-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide
CID 82725585
ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
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N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646373
N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660334
3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
CID 96583038
N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
CID 60855933
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CID 43556671

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(1-methylpyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(1-methylpyrrolidin-3-yl)amino]acetamide (CID 54950079) is N-(2-chlorophenyl)-2-[(1-methylpyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(1-methylpyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(1-methylpyrrolidin-3-yl)amino]acetamide is CN1CCC(NCC(=O)Nc2ccccc2Cl)C1.
What is the InChIKey of N-(2-chlorophenyl)-2-[(1-methylpyrrolidin-3-yl)amino]acetamide?
The InChIKey is JLSUARWAODNUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-17-7-6-10(9-17)15-8-13(18)16-12-5-3-2-4-11(12)14/h2-5,10,15H,6-9H2,1H3,(H,16,18).
What are the key properties of N-(2-chlorophenyl)-2-[(1-methylpyrrolidin-3-yl)amino]acetamide?
N-(2-chlorophenyl)-2-[(1-methylpyrrolidin-3-yl)amino]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-(2-chlorophenyl)-2-[(1-methylpyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 54950079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).