2-chloro-N-[4-iodo-2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

C20H20ClIN2O2 — CID 1289850

IUPAC2-chloro-N-[4-iodo-2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCC1CCN(C(=O)c2cc(I)ccc2NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C20H20ClIN2O2/c1-13-8-10-24(11-9-13)20(26)16-12-14(22)6-7-18(16)23-19(25)15-4-2-3-5-17(15)21/h2-7,12-13H,8-11H2,1H3,(H,23,25)
InChIKeyWOAJWRWVJSPEIJ-UHFFFAOYSA-N
MW482.75 g/mol
LogP5.07
Rot. Bonds3

About 2-chloro-N-[4-iodo-2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

2-chloro-N-[4-iodo-2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (PubChem CID 1289850) has the molecular formula C20H20ClIN2O2 and a molecular weight of 482.75 g/mol. Its IUPAC name is 2-chloro-N-[4-iodo-2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-iodo-2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
PubChem CID1289850
Molecular FormulaC20H20ClIN2O2
Molecular Weight482.75 g/mol
Exact Mass482.03
IUPAC Name2-chloro-N-[4-iodo-2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCC1CCN(C(=O)c2cc(I)ccc2NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C20H20ClIN2O2/c1-13-8-10-24(11-9-13)20(26)16-12-14(22)6-7-18(16)23-19(25)15-4-2-3-5-17(15)21/h2-7,12-13H,8-11H2,1H3,(H,23,25)
InChIKeyWOAJWRWVJSPEIJ-UHFFFAOYSA-N
XLogP5.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.75
LogP ≤ 55.07
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

2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179593
2,4-dichloro-N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 1304777
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
2,3,4,5-tetrafluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 71890005
4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959
3-(2-chlorophenyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 17179018
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
N-[4-iodo-2-(morpholine-4-carbonyl)phenyl]naphthalene-1-carboxamide
CID 2197419
[2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea
CID 169356775
3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 15996952
2-chloro-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17179770
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939290

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-iodo-2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-iodo-2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (CID 1289850) is 2-chloro-N-[4-iodo-2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-iodo-2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-iodo-2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is CC1CCN(C(=O)c2cc(I)ccc2NC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[4-iodo-2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is WOAJWRWVJSPEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClIN2O2/c1-13-8-10-24(11-9-13)20(26)16-12-14(22)6-7-18(16)23-19(25)15-4-2-3-5-17(15)21/h2-7,12-13H,8-11H2,1H3,(H,23,25).
What are the key properties of 2-chloro-N-[4-iodo-2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
2-chloro-N-[4-iodo-2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 482.75 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-iodo-2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 1289850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).