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

C14H20ClN3O2 — CID 115964909

IUPACN-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESNc1cc(NC(=O)CCN2CCC(CO)C2)ccc1Cl
InChIInChI=1S/C14H20ClN3O2/c15-12-2-1-11(7-13(12)16)17-14(20)4-6-18-5-3-10(8-18)9-19/h1-2,7,10,19H,3-6,8-9,16H2,(H,17,20)
InChIKeyGIRBYQJBGKKZRD-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.57
Rot. Bonds5

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

N-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide (PubChem CID 115964909) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
PubChem CID115964909
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESNc1cc(NC(=O)CCN2CCC(CO)C2)ccc1Cl
InChIInChI=1S/C14H20ClN3O2/c15-12-2-1-11(7-13(12)16)17-14(20)4-6-18-5-3-10(8-18)9-19/h1-2,7,10,19H,3-6,8-9,16H2,(H,17,20)
InChIKeyGIRBYQJBGKKZRD-UHFFFAOYSA-N
XLogP1.57
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.57
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-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112624398
N-(2,6-dichlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62372087
N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 29053524
N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 111750178
N-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide
CID 43575264
N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106668037
N-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide
CID 43080187
N-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964918
N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide
CID 55131164
N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668021
N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62372959
N-(4-amino-2-methoxyphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964875

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide (CID 115964909) is N-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide is Nc1cc(NC(=O)CCN2CCC(CO)C2)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is GIRBYQJBGKKZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c15-12-2-1-11(7-13(12)16)17-14(20)4-6-18-5-3-10(8-18)9-19/h1-2,7,10,19H,3-6,8-9,16H2,(H,17,20).
What are the key properties of N-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
N-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 297.79 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 115964909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).