N-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide

C14H18INO — CID 103737209

IUPACN-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide
SMILESCCC1(CNC(=O)c2cccc(C)c2I)CC1
InChIInChI=1S/C14H18INO/c1-3-14(7-8-14)9-16-13(17)11-6-4-5-10(2)12(11)15/h4-6H,3,7-9H2,1-2H3,(H,16,17)
InChIKeyRVBMDGJZYPTKIZ-UHFFFAOYSA-N
MW343.21 g/mol
LogP3.52
Rot. Bonds4

About N-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide

N-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide (PubChem CID 103737209) has the molecular formula C14H18INO and a molecular weight of 343.21 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide
PubChem CID103737209
Molecular FormulaC14H18INO
Molecular Weight343.21 g/mol
Exact Mass343.04
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide
SMILESCCC1(CNC(=O)c2cccc(C)c2I)CC1
InChIInChI=1S/C14H18INO/c1-3-14(7-8-14)9-16-13(17)11-6-4-5-10(2)12(11)15/h4-6H,3,7-9H2,1-2H3,(H,16,17)
InChIKeyRVBMDGJZYPTKIZ-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.52
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

N-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide
CID 103766399
N-[(1-ethylcyclopropyl)methyl]-2,3-dihydroxybenzamide
CID 104931813
N-ethyl-2-iodo-3-methylbenzamide
CID 69076024
2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide
CID 113257623
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 114757948
2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide
CID 114098998
N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide
CID 51081725
2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762311
ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate
CID 47329540
3-[(1-ethylcyclopropyl)methylcarbamoyl]benzoic acid
CID 113352929
2-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylbenzamide
CID 107984007
3-hydroxy-2-methyl-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103873764

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide (CID 103737209) is N-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide is CCC1(CNC(=O)c2cccc(C)c2I)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide?
The InChIKey is RVBMDGJZYPTKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO/c1-3-14(7-8-14)9-16-13(17)11-6-4-5-10(2)12(11)15/h4-6H,3,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide?
N-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide has a molecular weight of 343.21 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide is sourced from PubChem (CID 103737209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).