3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide

C12H14ClIN2O — CID 103866566

IUPAC3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCCNC1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H14ClIN2O/c13-10-6-8(3-4-11(10)14)12(17)16-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17)/t9-/m0/s1
InChIKeyLNFQCVWZSFGMRP-VIFPVBQESA-N
MW364.61 g/mol
LogP2.43
Rot. Bonds2

About 3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide

3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide (PubChem CID 103866566) has the molecular formula C12H14ClIN2O and a molecular weight of 364.61 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide
PubChem CID103866566
Molecular FormulaC12H14ClIN2O
Molecular Weight364.61 g/mol
Exact Mass363.98
IUPAC Name3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCCNC1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H14ClIN2O/c13-10-6-8(3-4-11(10)14)12(17)16-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17)/t9-/m0/s1
InChIKeyLNFQCVWZSFGMRP-VIFPVBQESA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.61
LogP ≤ 52.43
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

3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 103209637
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959
3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454037
4-chloro-3-(2-oxoimidazolidin-1-yl)-N-piperidin-3-ylbenzamide
CID 119427326
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185
3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 103209748
N-piperidin-3-ylbenzamide
CID 22017045
4-(dimethylamino)-N-piperidin-3-ylbenzamide
CID 43146815
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
N-(azepan-4-yl)-4-chloro-3-fluorobenzamide
CID 107990996

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide?
The IUPAC name of 3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide (CID 103866566) is 3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide is O=C(N[C@H]1CCCNC1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide?
The InChIKey is LNFQCVWZSFGMRP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14ClIN2O/c13-10-6-8(3-4-11(10)14)12(17)16-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17)/t9-/m0/s1.
What are the key properties of 3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide?
3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide has a molecular weight of 364.61 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide is sourced from PubChem (CID 103866566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).