3-iodo-4-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide

C20H21IN2O2 — CID 26167470

IUPAC3-iodo-4-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1I
InChIInChI=1S/C20H21IN2O2/c1-14-5-6-16(13-18(14)21)19(24)22-17-9-7-15(8-10-17)20(25)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3,(H,22,24)
InChIKeyKOWCSKHYUYYGTE-UHFFFAOYSA-N
MW448.30 g/mol
LogP4.48
Rot. Bonds3

About 3-iodo-4-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide

3-iodo-4-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 26167470) has the molecular formula C20H21IN2O2 and a molecular weight of 448.30 g/mol. Its IUPAC name is 3-iodo-4-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-iodo-4-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID26167470
Molecular FormulaC20H21IN2O2
Molecular Weight448.30 g/mol
Exact Mass448.06
IUPAC Name3-iodo-4-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1I
InChIInChI=1S/C20H21IN2O2/c1-14-5-6-16(13-18(14)21)19(24)22-17-9-7-15(8-10-17)20(25)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3,(H,22,24)
InChIKeyKOWCSKHYUYYGTE-UHFFFAOYSA-N
XLogP4.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.30
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(azepane-1-carbonyl)phenyl]-3-methylbenzamide
CID 17198989
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide
CID 1014195
4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 155705964
5-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 2970344
N-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 28587698
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
2-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 17123959
3,5-dichloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167664
3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 6939897
3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2970403
3-fluoro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2971545

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-iodo-4-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide (CID 26167470) is 3-iodo-4-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-iodo-4-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-iodo-4-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1I.
What is the InChIKey of 3-iodo-4-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is KOWCSKHYUYYGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21IN2O2/c1-14-5-6-16(13-18(14)21)19(24)22-17-9-7-15(8-10-17)20(25)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3,(H,22,24).
What are the key properties of 3-iodo-4-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
3-iodo-4-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 448.30 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 26167470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).