3-chloro-N-decyl-4-iodobenzamide

C17H25ClINO — CID 103222152

IUPAC3-chloro-N-decyl-4-iodobenzamide
SMILESCCCCCCCCCCNC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C17H25ClINO/c1-2-3-4-5-6-7-8-9-12-20-17(21)14-10-11-16(19)15(18)13-14/h10-11,13H,2-9,12H2,1H3,(H,20,21)
InChIKeyNGBKSKAHZKHYNT-UHFFFAOYSA-N
MW421.75 g/mol
LogP5.82
Rot. Bonds10

About 3-chloro-N-decyl-4-iodobenzamide

3-chloro-N-decyl-4-iodobenzamide (PubChem CID 103222152) has the molecular formula C17H25ClINO and a molecular weight of 421.75 g/mol. Its IUPAC name is 3-chloro-N-decyl-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-decyl-4-iodobenzamide
PubChem CID103222152
Molecular FormulaC17H25ClINO
Molecular Weight421.75 g/mol
Exact Mass421.07
IUPAC Name3-chloro-N-decyl-4-iodobenzamide
SMILESCCCCCCCCCCNC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C17H25ClINO/c1-2-3-4-5-6-7-8-9-12-20-17(21)14-10-11-16(19)15(18)13-14/h10-11,13H,2-9,12H2,1H3,(H,20,21)
InChIKeyNGBKSKAHZKHYNT-UHFFFAOYSA-N
XLogP5.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.75
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide
CID 106842281
N-hexyl-3-hydroxy-4-iodobenzamide
CID 104627562
3-chloro-4-iodo-N-(3-iodopropyl)benzamide
CID 103212807
ethyl 4-[(3-chloro-4-iodobenzoyl)amino]butanoate
CID 103734908
3-chloro-4-iodo-N-pent-4-ynylbenzamide
CID 103737066
4-chloro-3-(methanesulfonamido)-N-nonylbenzamide
CID 60604741
3-chloro-N-hexyl-4-nitrobenzamide
CID 82781291
4-amino-3,5-dichloro-N-octylbenzamide
CID 82832749
N-hexyl-3,4-dimethylbenzamide
CID 4523484
3-chloro-N-(3-hydroxybutyl)-4-iodobenzamide
CID 103736317
4-amino-N-butyl-3-chlorobenzamide
CID 59763688
3,4-diamino-N-dodecylbenzamide
CID 22411166

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-decyl-4-iodobenzamide?
The IUPAC name of 3-chloro-N-decyl-4-iodobenzamide (CID 103222152) is 3-chloro-N-decyl-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-decyl-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-decyl-4-iodobenzamide is CCCCCCCCCCNC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-decyl-4-iodobenzamide?
The InChIKey is NGBKSKAHZKHYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClINO/c1-2-3-4-5-6-7-8-9-12-20-17(21)14-10-11-16(19)15(18)13-14/h10-11,13H,2-9,12H2,1H3,(H,20,21).
What are the key properties of 3-chloro-N-decyl-4-iodobenzamide?
3-chloro-N-decyl-4-iodobenzamide has a molecular weight of 421.75 g/mol, XLogP of 5.82, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-decyl-4-iodobenzamide is sourced from PubChem (CID 103222152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).