2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide

C14H18INO — CID 103762311

IUPAC2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide
SMILESCCCC1(CNC(=O)c2ccccc2I)CC1
InChIInChI=1S/C14H18INO/c1-2-7-14(8-9-14)10-16-13(17)11-5-3-4-6-12(11)15/h3-6H,2,7-10H2,1H3,(H,16,17)
InChIKeyIBEPJADPZKJZKC-UHFFFAOYSA-N
MW343.21 g/mol
LogP3.60
Rot. Bonds5

About 2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide

2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide (PubChem CID 103762311) has the molecular formula C14H18INO and a molecular weight of 343.21 g/mol. Its IUPAC name is 2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide
PubChem CID103762311
Molecular FormulaC14H18INO
Molecular Weight343.21 g/mol
Exact Mass343.04
IUPAC Name2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide
SMILESCCCC1(CNC(=O)c2ccccc2I)CC1
InChIInChI=1S/C14H18INO/c1-2-7-14(8-9-14)10-16-13(17)11-5-3-4-6-12(11)15/h3-6H,2,7-10H2,1H3,(H,16,17)
InChIKeyIBEPJADPZKJZKC-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.60
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-(chloromethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 115455970
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 113294004
N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762150
3-hydroxy-2-methyl-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103873764
2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide
CID 113257623
2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide
CID 103993329
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 114757948
N-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide
CID 103737209
5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 104957603
4-amino-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103813045
N-[(1-ethylcyclopropyl)methyl]-2,3-dihydroxybenzamide
CID 104931813
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide
CID 113313447

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide?
The IUPAC name of 2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide (CID 103762311) is 2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide?
The canonical SMILES for 2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide is CCCC1(CNC(=O)c2ccccc2I)CC1.
What is the InChIKey of 2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide?
The InChIKey is IBEPJADPZKJZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO/c1-2-7-14(8-9-14)10-16-13(17)11-5-3-4-6-12(11)15/h3-6H,2,7-10H2,1H3,(H,16,17).
What are the key properties of 2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide?
2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide has a molecular weight of 343.21 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 103762311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).