2,4-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide

C17H16Cl2N2O — CID 1480268

IUPAC2,4-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O/c18-12-3-8-15(16(19)11-12)17(22)20-13-4-6-14(7-5-13)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22)
InChIKeyLWQZLAMXGZTLMM-UHFFFAOYSA-N
MW335.23 g/mol
LogP4.85
Rot. Bonds3

About 2,4-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide

2,4-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 1480268) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID1480268
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Name2,4-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O/c18-12-3-8-15(16(19)11-12)17(22)20-13-4-6-14(7-5-13)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22)
InChIKeyLWQZLAMXGZTLMM-UHFFFAOYSA-N
XLogP4.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-N-methyl-N-phenylbenzamide
CID 587357
2,2'-Dichlorobenzanilide
CID 221407
4-chloro-N-(3-chlorophenyl)benzamide
CID 346674
2-chloro-N-(3-chlorophenyl)benzamide
CID 347063
N-(4-Aminophenyl)-4-chlorobenzamide
CID 960654
Pencycuron-ketone
CID 139595074
3,5-dichloro-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
CID 59401771
N-(4-anilinophenyl)-2,6-dichlorobenzamide
CID 1001634
2-chloro-N-ethyl-N-phenylbenzamide
CID 722355
2-Chloro-N-(4-chlorophenyl)benzamide
CID 221831
4-Chloro-N-(4-chlorophenyl)benzamide
CID 237478
4-Chlorobenzanilide
CID 346669

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide (CID 1480268) is 2,4-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide is O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is LWQZLAMXGZTLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c18-12-3-8-15(16(19)11-12)17(22)20-13-4-6-14(7-5-13)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22).
What are the key properties of 2,4-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide?
2,4-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 335.23 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 1480268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).