3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-iodobenzamide

C13H15ClINO2 — CID 102685010

IUPAC3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-iodobenzamide
SMILESO=C(c1ccc(I)c(Cl)c1)N(CCO)C1CCC1
InChIInChI=1S/C13H15ClINO2/c14-11-8-9(4-5-12(11)15)13(18)16(6-7-17)10-2-1-3-10/h4-5,8,10,17H,1-3,6-7H2
InChIKeyBTHNRTKSDMTXTA-UHFFFAOYSA-N
MW379.63 g/mol
LogP2.93
Rot. Bonds4

About 3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-iodobenzamide

3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-iodobenzamide (PubChem CID 102685010) has the molecular formula C13H15ClINO2 and a molecular weight of 379.63 g/mol. Its IUPAC name is 3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-iodobenzamide
PubChem CID102685010
Molecular FormulaC13H15ClINO2
Molecular Weight379.63 g/mol
Exact Mass378.98
IUPAC Name3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-iodobenzamide
SMILESO=C(c1ccc(I)c(Cl)c1)N(CCO)C1CCC1
InChIInChI=1S/C13H15ClINO2/c14-11-8-9(4-5-12(11)15)13(18)16(6-7-17)10-2-1-3-10/h4-5,8,10,17H,1-3,6-7H2
InChIKeyBTHNRTKSDMTXTA-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.63
LogP ≤ 52.93
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

3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-iodobenzamide
CID 103221703
N-(3-bromopropyl)-3-chloro-N-cyclobutyl-4-iodobenzamide
CID 103212872
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide
CID 103737051
4-amino-3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102858723
3-chloro-N-cycloheptyl-4-iodo-N-methylbenzamide
CID 103221242
4-bromo-N-cyclohexyl-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 103956472
3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43576965
3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 102684435
N-cyclopentyl-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994210
N-cyclobutyl-4-ethyl-N-(2-hydroxyethyl)benzamide
CID 102684931
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide
CID 43576906

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-iodobenzamide (CID 102685010) is 3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-iodobenzamide is O=C(c1ccc(I)c(Cl)c1)N(CCO)C1CCC1.
What is the InChIKey of 3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-iodobenzamide?
The InChIKey is BTHNRTKSDMTXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClINO2/c14-11-8-9(4-5-12(11)15)13(18)16(6-7-17)10-2-1-3-10/h4-5,8,10,17H,1-3,6-7H2.
What are the key properties of 3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-iodobenzamide?
3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-iodobenzamide has a molecular weight of 379.63 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-iodobenzamide is sourced from PubChem (CID 102685010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).