N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide

C14H20ClN3O3 — CID 106668037

IUPACN-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
SMILESNc1cc(NC(=O)CCCN2CC(O)C(O)C2)ccc1Cl
InChIInChI=1S/C14H20ClN3O3/c15-10-4-3-9(6-11(10)16)17-14(21)2-1-5-18-7-12(19)13(20)8-18/h3-4,6,12-13,19-20H,1-2,5,7-8,16H2,(H,17,21)
InChIKeyJXVBELHAYHDWMP-UHFFFAOYSA-N
MW313.78 g/mol
LogP0.68
Rot. Bonds5

About N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide

N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide (PubChem CID 106668037) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.78 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
PubChem CID106668037
Molecular FormulaC14H20ClN3O3
Molecular Weight313.78 g/mol
Exact Mass313.12
IUPAC NameN-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
SMILESNc1cc(NC(=O)CCCN2CC(O)C(O)C2)ccc1Cl
InChIInChI=1S/C14H20ClN3O3/c15-10-4-3-9(6-11(10)16)17-14(21)2-1-5-18-7-12(19)13(20)8-18/h3-4,6,12-13,19-20H,1-2,5,7-8,16H2,(H,17,21)
InChIKeyJXVBELHAYHDWMP-UHFFFAOYSA-N
XLogP0.68
TPSA98.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide
CID 43575264
N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668021
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964909
N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 29053524
N-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
CID 62849241
N-(3-amino-4-chlorophenyl)-4-propylsulfonylbutanamide
CID 43444857
N-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide
CID 43080187
N-(3-amino-4-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide
CID 43617463
N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide
CID 16779269
N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63686148
N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide
CID 43274939

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide (CID 106668037) is N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide is Nc1cc(NC(=O)CCCN2CC(O)C(O)C2)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide?
The InChIKey is JXVBELHAYHDWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c15-10-4-3-9(6-11(10)16)17-14(21)2-1-5-18-7-12(19)13(20)8-18/h3-4,6,12-13,19-20H,1-2,5,7-8,16H2,(H,17,21).
What are the key properties of N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide?
N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide has a molecular weight of 313.78 g/mol, XLogP of 0.68, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide is sourced from PubChem (CID 106668037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).