2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide

C19H20Cl2N2O — CID 16889501

IUPAC2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(N2CCCC2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H20Cl2N2O/c20-15-5-8-18(21)17(13-15)19(24)22-10-9-14-3-6-16(7-4-14)23-11-1-2-12-23/h3-8,13H,1-2,9-12H2,(H,22,24)
InChIKeySDCCEFFMTWUKCZ-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.57
Rot. Bonds5

About 2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide

2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide (PubChem CID 16889501) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
PubChem CID16889501
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(N2CCCC2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H20Cl2N2O/c20-15-5-8-18(21)17(13-15)19(24)22-10-9-14-3-6-16(7-4-14)23-11-1-2-12-23/h3-8,13H,1-2,9-12H2,(H,22,24)
InChIKeySDCCEFFMTWUKCZ-UHFFFAOYSA-N
XLogP4.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide
CID 16890087
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076
2-chloro-4-nitro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889539
2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride
CID 70532427
N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108985822
N'-(3-chlorophenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891562
4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 109215435
2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
CID 16889525
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide (CID 16889501) is 2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide is O=C(NCCc1ccc(N2CCCC2)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide?
The InChIKey is SDCCEFFMTWUKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c20-15-5-8-18(21)17(13-15)19(24)22-10-9-14-3-6-16(7-4-14)23-11-1-2-12-23/h3-8,13H,1-2,9-12H2,(H,22,24).
What are the key properties of 2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide?
2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide has a molecular weight of 363.29 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 16889501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).