N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide

C19H22ClN3O — CID 109037829

IUPACN-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
SMILESO=C(CCNc1ccc(N2CCCC2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C19H22ClN3O/c20-17-5-1-2-6-18(17)22-19(24)11-12-21-15-7-9-16(10-8-15)23-13-3-4-14-23/h1-2,5-10,21H,3-4,11-14H2,(H,22,24)
InChIKeyKAMCSVKLNUHJHZ-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.38
Rot. Bonds6

About N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide

N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide (PubChem CID 109037829) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
PubChem CID109037829
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
SMILESO=C(CCNc1ccc(N2CCCC2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C19H22ClN3O/c20-17-5-1-2-6-18(17)22-19(24)11-12-21-15-7-9-16(10-8-15)23-13-3-4-14-23/h1-2,5-10,21H,3-4,11-14H2,(H,22,24)
InChIKeyKAMCSVKLNUHJHZ-UHFFFAOYSA-N
XLogP4.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109037833
N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041798
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108954901
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109039758
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110649990
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109041851
3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037798

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide (CID 109037829) is N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide is O=C(CCNc1ccc(N2CCCC2)cc1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide?
The InChIKey is KAMCSVKLNUHJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-17-5-1-2-6-18(17)22-19(24)11-12-21-15-7-9-16(10-8-15)23-13-3-4-14-23/h1-2,5-10,21H,3-4,11-14H2,(H,22,24).
What are the key properties of N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide?
N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide has a molecular weight of 343.86 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide is sourced from PubChem (CID 109037829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).