N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide

C13H16ClIN2O — CID 107625589

IUPACN-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C13H16ClIN2O/c1-8-3-2-6-16-12(8)13(18)17-11-5-4-9(14)7-10(11)15/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18)
InChIKeyULEXUCUONZXUQF-UHFFFAOYSA-N
MW378.64 g/mol
LogP3.27
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide

N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide (PubChem CID 107625589) has the molecular formula C13H16ClIN2O and a molecular weight of 378.64 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
PubChem CID107625589
Molecular FormulaC13H16ClIN2O
Molecular Weight378.64 g/mol
Exact Mass378.00
IUPAC NameN-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C13H16ClIN2O/c1-8-3-2-6-16-12(8)13(18)17-11-5-4-9(14)7-10(11)15/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18)
InChIKeyULEXUCUONZXUQF-UHFFFAOYSA-N
XLogP3.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.64
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 107068357
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067123
N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779794
5-iodo-2-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107068158
N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 114257371
N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide
CID 107640629
4-fluoro-3-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107067490
4-chloro-3-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107067888
N-(4-fluoro-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339106
methyl 5-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]benzoate
CID 107067304
N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 114262076
N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103766784

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide (CID 107625589) is N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide is CC1CCCNC1C(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide?
The InChIKey is ULEXUCUONZXUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIN2O/c1-8-3-2-6-16-12(8)13(18)17-11-5-4-9(14)7-10(11)15/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18).
What are the key properties of N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide?
N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide has a molecular weight of 378.64 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107625589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).