N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide

C19H21Cl2N3O — CID 109041798

IUPACN-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
SMILESO=C(CCNc1ccc(N2CCCC2)cc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H21Cl2N3O/c20-16-4-3-5-17(21)19(16)23-18(25)10-11-22-14-6-8-15(9-7-14)24-12-1-2-13-24/h3-9,22H,1-2,10-13H2,(H,23,25)
InChIKeyDCXJTRBLFNJVKF-UHFFFAOYSA-N
MW378.30 g/mol
LogP5.03
Rot. Bonds6

About N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide

N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide (PubChem CID 109041798) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
PubChem CID109041798
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC NameN-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
SMILESO=C(CCNc1ccc(N2CCCC2)cc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H21Cl2N3O/c20-16-4-3-5-17(21)19(16)23-18(25)10-11-22-14-6-8-15(9-7-14)24-12-1-2-13-24/h3-9,22H,1-2,10-13H2,(H,23,25)
InChIKeyDCXJTRBLFNJVKF-UHFFFAOYSA-N
XLogP5.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.30
LogP ≤ 55.03
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-pyrrolidin-1-ylanilino)propanamide
CID 109037829
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041778
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
N-(2,6-dichlorophenyl)-3-(4-fluoroanilino)propanamide
CID 109037778
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109037833
3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109034292
methyl 4-[3-(4-pyrrolidin-1-ylanilino)propanoylamino]benzoate
CID 109041473
N-(2,6-dichlorophenyl)-3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019613

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide (CID 109041798) is N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide is O=C(CCNc1ccc(N2CCCC2)cc1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide?
The InChIKey is DCXJTRBLFNJVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c20-16-4-3-5-17(21)19(16)23-18(25)10-11-22-14-6-8-15(9-7-14)24-12-1-2-13-24/h3-9,22H,1-2,10-13H2,(H,23,25).
What are the key properties of N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide?
N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide has a molecular weight of 378.30 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide is sourced from PubChem (CID 109041798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).