N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide

C15H22ClN3O2 — CID 102778011

IUPACN-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
SMILESCC1CCN(C(C)C(=O)Nc2ccc(N)cc2Cl)C1CO
InChIInChI=1S/C15H22ClN3O2/c1-9-5-6-19(14(9)8-20)10(2)15(21)18-13-4-3-11(17)7-12(13)16/h3-4,7,9-10,14,20H,5-6,8,17H2,1-2H3,(H,18,21)
InChIKeyKFIYJPNIAYWQBH-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.95
Rot. Bonds4

About N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide

N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide (PubChem CID 102778011) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
PubChem CID102778011
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
SMILESCC1CCN(C(C)C(=O)Nc2ccc(N)cc2Cl)C1CO
InChIInChI=1S/C15H22ClN3O2/c1-9-5-6-19(14(9)8-20)10(2)15(21)18-13-4-3-11(17)7-12(13)16/h3-4,7,9-10,14,20H,5-6,8,17H2,1-2H3,(H,18,21)
InChIKeyKFIYJPNIAYWQBH-UHFFFAOYSA-N
XLogP1.95
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.95
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-(2-cyanophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102780960
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 61421371
N-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide
CID 43372592
N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide
CID 16786642
N-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide
CID 82224757
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
N-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide
CID 62382552
N-(4-amino-2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)butanamide
CID 82224763
N-(4-amino-2-chlorophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide
CID 64745115
N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788356
N-(4-amino-2-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224762
N-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide
CID 54943567

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide (CID 102778011) is N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide is CC1CCN(C(C)C(=O)Nc2ccc(N)cc2Cl)C1CO.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide?
The InChIKey is KFIYJPNIAYWQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-9-5-6-19(14(9)8-20)10(2)15(21)18-13-4-3-11(17)7-12(13)16/h3-4,7,9-10,14,20H,5-6,8,17H2,1-2H3,(H,18,21).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide?
N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide has a molecular weight of 311.81 g/mol, XLogP of 1.95, 4 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)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 102778011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).