2,3-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide

C17H16Cl2N2O — CID 2913761

IUPAC2,3-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N2O/c18-15-5-3-4-14(16(15)19)17(22)20-12-6-8-13(9-7-12)21-10-1-2-11-21/h3-9H,1-2,10-11H2,(H,20,22)
InChIKeyYZOJZHIGOTWJEU-UHFFFAOYSA-N
MW335.23 g/mol
LogP4.85
Rot. Bonds3

About 2,3-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide

2,3-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 2913761) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is 2,3-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID2913761
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Name2,3-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N2O/c18-15-5-3-4-14(16(15)19)17(22)20-12-6-8-13(9-7-12)21-10-1-2-11-21/h3-9H,1-2,10-11H2,(H,20,22)
InChIKeyYZOJZHIGOTWJEU-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

3,4-dichloro-N-phenylbenzamide
CID 504156
2-chloro-N-(3-chlorophenyl)benzamide
CID 347063
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-(4-chlorophenyl)benzamide
CID 221831
N-{(Z)-4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-but-2-enyl}-benzamide
CID 9887463
N-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-but-2-enyl}-benzamide
CID 10001256
N-(4-anilinophenyl)-2-chloro-4-methylbenzamide
CID 885919
3-chloro-N-[4-(pyrrolidin-1-yl)phenyl]benzamide
CID 960879
2,4-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 1480268
N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-2-fluoro-benzamide
CID 740785
(E)-2-chloro-N-(4-(phenyldiazenyl)phenyl)benzamide
CID 3800362

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 2,3-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide (CID 2913761) is 2,3-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide is O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is YZOJZHIGOTWJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c18-15-5-3-4-14(16(15)19)17(22)20-12-6-8-13(9-7-12)21-10-1-2-11-21/h3-9H,1-2,10-11H2,(H,20,22).
What are the key properties of 2,3-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide?
2,3-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 2,3-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 2913761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).