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

C17H16Cl2N2O — CID 960458

IUPAC3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O/c18-13-8-7-12(11-14(13)19)17(22)20-15-5-1-2-6-16(15)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10H2,(H,20,22)
InChIKeyXCAVEDAENSEAGU-UHFFFAOYSA-N
MW335.23 g/mol
LogP4.85
Rot. Bonds3

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

3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 960458) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
PubChem CID960458
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Name3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O/c18-13-8-7-12(11-14(13)19)17(22)20-15-5-1-2-6-16(15)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10H2,(H,20,22)
InChIKeyXCAVEDAENSEAGU-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

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Related Compounds

N-[2-(azepan-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 18287671
3,5-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557750
3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 7473635
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
N-(2-pyrrolidin-1-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17313981
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
2-(3,4-dichlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 7492195
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
3-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 4501683
N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996637
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197
3,4-dichloro-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1278265

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide (CID 960458) is 3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide is O=C(Nc1ccccc1N1CCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is XCAVEDAENSEAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c18-13-8-7-12(11-14(13)19)17(22)20-15-5-1-2-6-16(15)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10H2,(H,20,22).
What are the key properties of 3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide?
3,4-dichloro-N-(2-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 3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 960458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).