N-(4-bromo-2-chlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide

C13H17BrClN3O — CID 107424546

IUPACN-(4-bromo-2-chlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
SMILESCC1(NCC(=O)Nc2ccc(Br)cc2Cl)CCNC1
InChIInChI=1S/C13H17BrClN3O/c1-13(4-5-16-8-13)17-7-12(19)18-11-3-2-9(14)6-10(11)15/h2-3,6,16-17H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyUHVAWPJEDGJCPF-UHFFFAOYSA-N
MW346.66 g/mol
LogP2.38
Rot. Bonds4

About N-(4-bromo-2-chlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide

N-(4-bromo-2-chlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide (PubChem CID 107424546) has the molecular formula C13H17BrClN3O and a molecular weight of 346.66 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
PubChem CID107424546
Molecular FormulaC13H17BrClN3O
Molecular Weight346.66 g/mol
Exact Mass345.02
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
SMILESCC1(NCC(=O)Nc2ccc(Br)cc2Cl)CCNC1
InChIInChI=1S/C13H17BrClN3O/c1-13(4-5-16-8-13)17-7-12(19)18-11-3-2-9(14)6-10(11)15/h2-3,6,16-17H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyUHVAWPJEDGJCPF-UHFFFAOYSA-N
XLogP2.38
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.66
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107423637
N-(5-fluoro-2-methylphenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107423548
N-(4-bromo-2-chlorophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide
CID 65460584
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-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141919
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
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
N-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide
CID 112722691
2-[[2-(4-bromo-2-chloroanilino)-2-oxoethyl]amino]propanoic acid
CID 43466879
N-(4-bromo-2-chlorophenyl)-2-(4-bromophenyl)acetamide
CID 7924446
N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide
CID 54925056

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide (CID 107424546) is N-(4-bromo-2-chlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide is CC1(NCC(=O)Nc2ccc(Br)cc2Cl)CCNC1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide?
The InChIKey is UHVAWPJEDGJCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN3O/c1-13(4-5-16-8-13)17-7-12(19)18-11-3-2-9(14)6-10(11)15/h2-3,6,16-17H,4-5,7-8H2,1H3,(H,18,19).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide?
N-(4-bromo-2-chlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide has a molecular weight of 346.66 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 107424546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).