2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide

C20H23ClN2O — CID 21229733

IUPAC2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(Cl)c1
InChIInChI=1S/C20H23ClN2O/c1-14-9-11-23(12-10-14)17-6-4-16(5-7-17)22-20(24)18-8-3-15(2)13-19(18)21/h3-8,13-14H,9-12H2,1-2H3,(H,22,24)
InChIKeyAOTYOWVKWMKTTD-UHFFFAOYSA-N
MW342.87 g/mol
LogP5.14
Rot. Bonds3

About 2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide

2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide (PubChem CID 21229733) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
PubChem CID21229733
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(Cl)c1
InChIInChI=1S/C20H23ClN2O/c1-14-9-11-23(12-10-14)17-6-4-16(5-7-17)22-20(24)18-8-3-15(2)13-19(18)21/h3-8,13-14H,9-12H2,1-2H3,(H,22,24)
InChIKeyAOTYOWVKWMKTTD-UHFFFAOYSA-N
XLogP5.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.87
LogP ≤ 55.14
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

2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559113
2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1396003
2-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methylbenzamide
CID 6965027
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-chloro-4-methylbenzamide
CID 3383622
2-chloro-4-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]benzamide
CID 17358170
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
2-hydroxy-5-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559329
2-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55389012
2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 60600795
2-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387444
5-bromo-2-methoxy-3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 3967891
N'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986740

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide (CID 21229733) is 2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide?
The InChIKey is AOTYOWVKWMKTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-14-9-11-23(12-10-14)17-6-4-16(5-7-17)22-20(24)18-8-3-15(2)13-19(18)21/h3-8,13-14H,9-12H2,1-2H3,(H,22,24).
What are the key properties of 2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide?
2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide has a molecular weight of 342.87 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 21229733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).