N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide

C13H17Cl2N3O — CID 107423637

IUPACN-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
SMILESCC1(NCC(=O)Nc2cc(Cl)ccc2Cl)CCNC1
InChIInChI=1S/C13H17Cl2N3O/c1-13(4-5-16-8-13)17-7-12(19)18-11-6-9(14)2-3-10(11)15/h2-3,6,16-17H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyHRQXHSBHQVSJOR-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.27
Rot. Bonds4

About N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide

N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide (PubChem CID 107423637) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
PubChem CID107423637
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC NameN-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
SMILESCC1(NCC(=O)Nc2cc(Cl)ccc2Cl)CCNC1
InChIInChI=1S/C13H17Cl2N3O/c1-13(4-5-16-8-13)17-7-12(19)18-11-6-9(14)2-3-10(11)15/h2-3,6,16-17H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyHRQXHSBHQVSJOR-UHFFFAOYSA-N
XLogP2.27
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107424546
N-(5-fluoro-2-methylphenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107423548
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107423504
methyl 3-[[2-[(3-methylpyrrolidin-3-yl)amino]acetyl]amino]thiophene-2-carboxylate
CID 107423542
N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)methyl-propylamino]acetamide
CID 120902455
N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107424306
1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119683786
N-(4-chloro-2-methylphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
CID 18124417
5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107423069
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
CID 47097183
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide
CID 47097189
N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423450

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide (CID 107423637) is N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide is CC1(NCC(=O)Nc2cc(Cl)ccc2Cl)CCNC1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide?
The InChIKey is HRQXHSBHQVSJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-13(4-5-16-8-13)17-7-12(19)18-11-6-9(14)2-3-10(11)15/h2-3,6,16-17H,4-5,7-8H2,1H3,(H,18,19).
What are the key properties of N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide?
N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide has a molecular weight of 302.20 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 107423637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).