N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide

C12H13ClINO — CID 114304978

IUPACN-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide
SMILESO=C(NCC(Cl)C1CC1)c1ccc(I)cc1
InChIInChI=1S/C12H13ClINO/c13-11(8-1-2-8)7-15-12(16)9-3-5-10(14)6-4-9/h3-6,8,11H,1-2,7H2,(H,15,16)
InChIKeyMJGOMOGENRDEJO-UHFFFAOYSA-N
MW349.60 g/mol
LogP3.04
Rot. Bonds4

About N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide

N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide (PubChem CID 114304978) has the molecular formula C12H13ClINO and a molecular weight of 349.60 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide
PubChem CID114304978
Molecular FormulaC12H13ClINO
Molecular Weight349.60 g/mol
Exact Mass348.97
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide
SMILESO=C(NCC(Cl)C1CC1)c1ccc(I)cc1
InChIInChI=1S/C12H13ClINO/c13-11(8-1-2-8)7-15-12(16)9-3-5-10(14)6-4-9/h3-6,8,11H,1-2,7H2,(H,15,16)
InChIKeyMJGOMOGENRDEJO-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.60
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-2-cyclopropylethyl)-4-(dimethylamino)benzamide
CID 114305111
N-(2-chloro-2-cyclopropylethyl)-4-ethoxybenzamide
CID 113273443
N-(2-chloro-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 114305026
N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide
CID 114305001
3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide
CID 114305198
5-bromo-N-(2-chloro-2-cyclopropylethyl)thiophene-3-carboxamide
CID 107966074
N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide
CID 113273458
2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid
CID 66167865
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334
N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide
CID 104786596
N-(2,2-dimethoxyethyl)-4-iodobenzamide
CID 10903782
2-chloro-N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide
CID 106690017

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide (CID 114304978) is N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide is O=C(NCC(Cl)C1CC1)c1ccc(I)cc1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide?
The InChIKey is MJGOMOGENRDEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClINO/c13-11(8-1-2-8)7-15-12(16)9-3-5-10(14)6-4-9/h3-6,8,11H,1-2,7H2,(H,15,16).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide?
N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide has a molecular weight of 349.60 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide is sourced from PubChem (CID 114304978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).