N-(4-amino-2-chlorophenyl)-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanamide

C15H22ClN3O2 — CID 103355525

IUPACN-(4-amino-2-chlorophenyl)-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanamide
SMILESCC1(O)CCN(CCCC(=O)Nc2ccc(N)cc2Cl)C1
InChIInChI=1S/C15H22ClN3O2/c1-15(21)6-8-19(10-15)7-2-3-14(20)18-13-5-4-11(17)9-12(13)16/h4-5,9,21H,2-3,6-8,10,17H2,1H3,(H,18,20)
InChIKeyVXYIBBXNRSTCNK-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.10
Rot. Bonds5

About N-(4-amino-2-chlorophenyl)-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanamide

N-(4-amino-2-chlorophenyl)-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanamide (PubChem CID 103355525) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanamide
PubChem CID103355525
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(4-amino-2-chlorophenyl)-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanamide
SMILESCC1(O)CCN(CCCC(=O)Nc2ccc(N)cc2Cl)C1
InChIInChI=1S/C15H22ClN3O2/c1-15(21)6-8-19(10-15)7-2-3-14(20)18-13-5-4-11(17)9-12(13)16/h4-5,9,21H,2-3,6-8,10,17H2,1H3,(H,18,20)
InChIKeyVXYIBBXNRSTCNK-UHFFFAOYSA-N
XLogP2.10
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide
CID 16778868
N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103355475
N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81099067
N-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide
CID 43541661
N-(2-fluorophenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103728822
N-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43287032
N-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62986506
N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728446
N-(4-amino-2-methoxyphenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 81098626
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide
CID 16779496
N-(4-amino-2-chlorophenyl)-3-(3-oxo-1,4-diazepan-1-yl)propanamide
CID 65361182

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanamide (CID 103355525) is N-(4-amino-2-chlorophenyl)-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanamide is CC1(O)CCN(CCCC(=O)Nc2ccc(N)cc2Cl)C1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanamide?
The InChIKey is VXYIBBXNRSTCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-15(21)6-8-19(10-15)7-2-3-14(20)18-13-5-4-11(17)9-12(13)16/h4-5,9,21H,2-3,6-8,10,17H2,1H3,(H,18,20).
What are the key properties of N-(4-amino-2-chlorophenyl)-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanamide?
N-(4-amino-2-chlorophenyl)-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanamide has a molecular weight of 311.81 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanamide is sourced from PubChem (CID 103355525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).