3,5-dichloro-N-[(2S)-1-hydroxybutan-2-yl]-2-iodobenzamide

C11H12Cl2INO2 — CID 93033016

IUPAC3,5-dichloro-N-[(2S)-1-hydroxybutan-2-yl]-2-iodobenzamide
SMILESCC[C@@H](CO)NC(=O)c1cc(Cl)cc(Cl)c1I
InChIInChI=1S/C11H12Cl2INO2/c1-2-7(5-16)15-11(17)8-3-6(12)4-9(13)10(8)14/h3-4,7,16H,2,5H2,1H3,(H,15,17)/t7-/m0/s1
InChIKeyMQEYWSCUGMLZND-ZETCQYMHSA-N
MW388.03 g/mol
LogP3.10
Rot. Bonds4

About 3,5-dichloro-N-[(2S)-1-hydroxybutan-2-yl]-2-iodobenzamide

3,5-dichloro-N-[(2S)-1-hydroxybutan-2-yl]-2-iodobenzamide (PubChem CID 93033016) has the molecular formula C11H12Cl2INO2 and a molecular weight of 388.03 g/mol. Its IUPAC name is 3,5-dichloro-N-[(2S)-1-hydroxybutan-2-yl]-2-iodobenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(2S)-1-hydroxybutan-2-yl]-2-iodobenzamide
PubChem CID93033016
Molecular FormulaC11H12Cl2INO2
Molecular Weight388.03 g/mol
Exact Mass386.93
IUPAC Name3,5-dichloro-N-[(2S)-1-hydroxybutan-2-yl]-2-iodobenzamide
SMILESCC[C@@H](CO)NC(=O)c1cc(Cl)cc(Cl)c1I
InChIInChI=1S/C11H12Cl2INO2/c1-2-7(5-16)15-11(17)8-3-6(12)4-9(13)10(8)14/h3-4,7,16H,2,5H2,1H3,(H,15,17)/t7-/m0/s1
InChIKeyMQEYWSCUGMLZND-ZETCQYMHSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.03
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-(3-hydroxy-2-methylpropyl)-2-iodobenzamide
CID 65036837
2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93032296
3,5-dichloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-iodobenzamide
CID 107866638
5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide
CID 43390352
3,5-dichloro-N-ethoxy-2-iodobenzamide
CID 60700722
4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93081059
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
2-[(3,5-dichloro-2-iodobenzoyl)amino]-2-methylbutanoic acid
CID 79792974
2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide
CID 93041920
3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-iodobenzamide
CID 103843634
2-[(3,5-dichloro-2-iodobenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 43238697
2-[(2,4-dichlorophenyl)methoxy]-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 124669662

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(2S)-1-hydroxybutan-2-yl]-2-iodobenzamide?
The IUPAC name of 3,5-dichloro-N-[(2S)-1-hydroxybutan-2-yl]-2-iodobenzamide (CID 93033016) is 3,5-dichloro-N-[(2S)-1-hydroxybutan-2-yl]-2-iodobenzamide.
What is the SMILES notation for 3,5-dichloro-N-[(2S)-1-hydroxybutan-2-yl]-2-iodobenzamide?
The canonical SMILES for 3,5-dichloro-N-[(2S)-1-hydroxybutan-2-yl]-2-iodobenzamide is CC[C@@H](CO)NC(=O)c1cc(Cl)cc(Cl)c1I.
What is the InChIKey of 3,5-dichloro-N-[(2S)-1-hydroxybutan-2-yl]-2-iodobenzamide?
The InChIKey is MQEYWSCUGMLZND-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12Cl2INO2/c1-2-7(5-16)15-11(17)8-3-6(12)4-9(13)10(8)14/h3-4,7,16H,2,5H2,1H3,(H,15,17)/t7-/m0/s1.
What are the key properties of 3,5-dichloro-N-[(2S)-1-hydroxybutan-2-yl]-2-iodobenzamide?
3,5-dichloro-N-[(2S)-1-hydroxybutan-2-yl]-2-iodobenzamide has a molecular weight of 388.03 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(2S)-1-hydroxybutan-2-yl]-2-iodobenzamide is sourced from PubChem (CID 93033016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).