3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide

C13H17ClINO — CID 103221997

IUPAC3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H17ClINO/c1-4-8(2)9(3)16-13(17)10-5-6-12(15)11(14)7-10/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyCTPIYQJDWYZDCU-UHFFFAOYSA-N
MW365.64 g/mol
LogP4.11
Rot. Bonds4

About 3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide

3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide (PubChem CID 103221997) has the molecular formula C13H17ClINO and a molecular weight of 365.64 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide
PubChem CID103221997
Molecular FormulaC13H17ClINO
Molecular Weight365.64 g/mol
Exact Mass365.00
IUPAC Name3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H17ClINO/c1-4-8(2)9(3)16-13(17)10-5-6-12(15)11(14)7-10/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyCTPIYQJDWYZDCU-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.64
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide
CID 103212326
3-chloro-4-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103222227
4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide
CID 82833286
3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide
CID 114113915
methyl (2S)-2-[(3-chloro-4-iodobenzoyl)amino]-3-methylbutanoate
CID 113251860
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-4-iodobenzamide
CID 106354755
methyl 2-[(3-chloro-4-iodobenzoyl)amino]-3-hydroxypropanoate
CID 104964307
3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide
CID 103222118
3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide
CID 103209174
3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide
CID 103221331
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370050
3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide
CID 106182456

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide?
The IUPAC name of 3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide (CID 103221997) is 3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide is CCC(C)C(C)NC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide?
The InChIKey is CTPIYQJDWYZDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClINO/c1-4-8(2)9(3)16-13(17)10-5-6-12(15)11(14)7-10/h5-9H,4H2,1-3H3,(H,16,17).
What are the key properties of 3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide?
3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide has a molecular weight of 365.64 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide is sourced from PubChem (CID 103221997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).