2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide

C18H18Cl2N2O — CID 56559113

IUPAC2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)C1
InChIInChI=1S/C18H18Cl2N2O/c1-12-8-9-22(11-12)15-5-3-14(4-6-15)21-18(23)16-7-2-13(19)10-17(16)20/h2-7,10,12H,8-9,11H2,1H3,(H,21,23)
InChIKeyYOKVNVYSKMWTDA-UHFFFAOYSA-N
MW349.26 g/mol
LogP5.09
Rot. Bonds3

About 2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide

2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide (PubChem CID 56559113) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
PubChem CID56559113
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)C1
InChIInChI=1S/C18H18Cl2N2O/c1-12-8-9-22(11-12)15-5-3-14(4-6-15)21-18(23)16-7-2-13(19)10-17(16)20/h2-7,10,12H,8-9,11H2,1H3,(H,21,23)
InChIKeyYOKVNVYSKMWTDA-UHFFFAOYSA-N
XLogP5.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.26
LogP ≤ 55.09
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-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 21229733
2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
CID 56559143
2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112502708
2,4-dichloro-N-[(1S)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 99994549
2,4-dichloro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 132659437
2-hydroxy-5-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559329
2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559405
4-chloro-3-(methanesulfonamido)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56557508
2,4-dichloro-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 3478464
N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3299631
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
2,4-dichloro-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]benzamide
CID 17050371

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide (CID 56559113) is 2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide is CC1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)C1.
What is the InChIKey of 2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is YOKVNVYSKMWTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c1-12-8-9-22(11-12)15-5-3-14(4-6-15)21-18(23)16-7-2-13(19)10-17(16)20/h2-7,10,12H,8-9,11H2,1H3,(H,21,23).
What are the key properties of 2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 349.26 g/mol, XLogP of 5.09, 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-(3-methylpyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 56559113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).