N-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide

C15H22ClN3O2 — CID 64569431

IUPACN-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
SMILESCOCC1CCN(C(C)C(=O)Nc2ccc(Cl)c(N)c2)C1
InChIInChI=1S/C15H22ClN3O2/c1-10(19-6-5-11(8-19)9-21-2)15(20)18-12-3-4-13(16)14(17)7-12/h3-4,7,10-11H,5-6,8-9,17H2,1-2H3,(H,18,20)
InChIKeyLAUBLNLRBJDLPT-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.22
Rot. Bonds5

About N-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide

N-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide (PubChem CID 64569431) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
PubChem CID64569431
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
SMILESCOCC1CCN(C(C)C(=O)Nc2ccc(Cl)c(N)c2)C1
InChIInChI=1S/C15H22ClN3O2/c1-10(19-6-5-11(8-19)9-21-2)15(20)18-12-3-4-13(16)14(17)7-12/h3-4,7,10-11H,5-6,8-9,17H2,1-2H3,(H,18,20)
InChIKeyLAUBLNLRBJDLPT-UHFFFAOYSA-N
XLogP2.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102955990
N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide
CID 106586020
N-(3-amino-4-chlorophenyl)-2-(2-cyanomorpholin-4-yl)propanamide
CID 79669975
N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64569430
N-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 16779003
N-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119419687
N-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223805
N-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102956094
N-(3-amino-4-chlorophenyl)-3-methyl-2-(2-methylpiperidin-1-yl)butanamide
CID 82224817
N-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114797242
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 61421371
ethyl (3S)-1-[(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 9444749

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide (CID 64569431) is N-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide is COCC1CCN(C(C)C(=O)Nc2ccc(Cl)c(N)c2)C1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is LAUBLNLRBJDLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10(19-6-5-11(8-19)9-21-2)15(20)18-12-3-4-13(16)14(17)7-12/h3-4,7,10-11H,5-6,8-9,17H2,1-2H3,(H,18,20).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide?
N-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 311.81 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 64569431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).