5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide

C21H24ClN3O2 — CID 120621032

IUPAC5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(C(=O)N2CCCCC2C)c(Cl)c1
InChIInChI=1S/C21H24ClN3O2/c1-13-6-7-15(23)11-18(13)20(26)24-16-8-9-17(19(22)12-16)21(27)25-10-4-3-5-14(25)2/h6-9,11-12,14H,3-5,10,23H2,1-2H3,(H,24,26)
InChIKeyLGNVBGGGFFHIDO-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.50
Rot. Bonds3

About 5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide

5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide (PubChem CID 120621032) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide
PubChem CID120621032
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(C(=O)N2CCCCC2C)c(Cl)c1
InChIInChI=1S/C21H24ClN3O2/c1-13-6-7-15(23)11-18(13)20(26)24-16-8-9-17(19(22)12-16)21(27)25-10-4-3-5-14(25)2/h6-9,11-12,14H,3-5,10,23H2,1-2H3,(H,24,26)
InChIKeyLGNVBGGGFFHIDO-UHFFFAOYSA-N
XLogP4.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide (CID 120621032) is 5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide is Cc1ccc(N)cc1C(=O)Nc1ccc(C(=O)N2CCCCC2C)c(Cl)c1.
What is the InChIKey of 5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide?
The InChIKey is LGNVBGGGFFHIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-13-6-7-15(23)11-18(13)20(26)24-16-8-9-17(19(22)12-16)21(27)25-10-4-3-5-14(25)2/h6-9,11-12,14H,3-5,10,23H2,1-2H3,(H,24,26).
What are the key properties of 5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide?
5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide has a molecular weight of 385.90 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 120621032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).