N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide

C14H20ClN3O — CID 54882013

IUPACN-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
SMILESCC1CCCN1CCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H20ClN3O/c1-10-3-2-7-18(10)8-6-14(19)17-13-9-11(15)4-5-12(13)16/h4-5,9-10H,2-3,6-8,16H2,1H3,(H,17,19)
InChIKeyFGMQJVQVQZACKN-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.74
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide

N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide (PubChem CID 54882013) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
PubChem CID54882013
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
SMILESCC1CCCN1CCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H20ClN3O/c1-10-3-2-7-18(10)8-6-14(19)17-13-9-11(15)4-5-12(13)16/h4-5,9-10H,2-3,6-8,16H2,1H3,(H,17,19)
InChIKeyFGMQJVQVQZACKN-UHFFFAOYSA-N
XLogP2.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16779613
N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54881990
N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
CID 54882932
N-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide
CID 28823865
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
N-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 28526956
N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505319
N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882030
N-(2-amino-5-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16792672
N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide
CID 16778999
N-(5-amino-2-fluorophenyl)-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124048
N-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride
CID 119916621

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide (CID 54882013) is N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide is CC1CCCN1CCC(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide?
The InChIKey is FGMQJVQVQZACKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-10-3-2-7-18(10)8-6-14(19)17-13-9-11(15)4-5-12(13)16/h4-5,9-10H,2-3,6-8,16H2,1H3,(H,17,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide?
N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide has a molecular weight of 281.79 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 54882013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).