4-(2-chloro-4-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide

C14H19ClIN3O — CID 83262468

IUPAC4-(2-chloro-4-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(Nc2ccc(I)cc2Cl)CC1
InChIInChI=1S/C14H19ClIN3O/c1-18(2)14(20)19-7-5-11(6-8-19)17-13-4-3-10(16)9-12(13)15/h3-4,9,11,17H,5-8H2,1-2H3
InChIKeyIMTGHBXBCNKVCA-UHFFFAOYSA-N
MW407.68 g/mol
LogP3.50
Rot. Bonds2

About 4-(2-chloro-4-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide

4-(2-chloro-4-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 83262468) has the molecular formula C14H19ClIN3O and a molecular weight of 407.68 g/mol. Its IUPAC name is 4-(2-chloro-4-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-4-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID83262468
Molecular FormulaC14H19ClIN3O
Molecular Weight407.68 g/mol
Exact Mass407.03
IUPAC Name4-(2-chloro-4-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(Nc2ccc(I)cc2Cl)CC1
InChIInChI=1S/C14H19ClIN3O/c1-18(2)14(20)19-7-5-11(6-8-19)17-13-4-3-10(16)9-12(13)15/h3-4,9,11,17H,5-8H2,1-2H3
InChIKeyIMTGHBXBCNKVCA-UHFFFAOYSA-N
XLogP3.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.68
LogP ≤ 53.50
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

4-(3-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83202747
4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236466
4-(2,4-difluoroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83262257
4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83242183
4-(2,5-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236467
1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone
CID 43772607
4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236371
2-chloro-4-iodo-N-(4-methoxycyclohexyl)aniline
CID 113414367
N,N-dimethyl-4-[(2-methyl-3-pyridinyl)amino]piperidine-1-carboxamide
CID 83261618
4-(3,5-difluoroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83202832
2-[4-(2-chloro-4-fluoroanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43773958
4-(2,6-dibromoanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 107597406

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-(2-chloro-4-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide (CID 83262468) is 4-(2-chloro-4-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(2-chloro-4-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-(2-chloro-4-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(Nc2ccc(I)cc2Cl)CC1.
What is the InChIKey of 4-(2-chloro-4-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is IMTGHBXBCNKVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClIN3O/c1-18(2)14(20)19-7-5-11(6-8-19)17-13-4-3-10(16)9-12(13)15/h3-4,9,11,17H,5-8H2,1-2H3.
What are the key properties of 4-(2-chloro-4-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide?
4-(2-chloro-4-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 407.68 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 83262468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).