N-but-3-en-2-yl-2-iodo-3-methylbenzamide

C12H14INO — CID 103750095

IUPACN-but-3-en-2-yl-2-iodo-3-methylbenzamide
SMILESC=CC(C)NC(=O)c1cccc(C)c1I
InChIInChI=1S/C12H14INO/c1-4-9(3)14-12(15)10-7-5-6-8(2)11(10)13/h4-7,9H,1H2,2-3H3,(H,14,15)
InChIKeyWLUCBRLOFUJMSI-UHFFFAOYSA-N
MW315.15 g/mol
LogP2.90
Rot. Bonds3

About N-but-3-en-2-yl-2-iodo-3-methylbenzamide

N-but-3-en-2-yl-2-iodo-3-methylbenzamide (PubChem CID 103750095) has the molecular formula C12H14INO and a molecular weight of 315.15 g/mol. Its IUPAC name is N-but-3-en-2-yl-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-2-iodo-3-methylbenzamide
PubChem CID103750095
Molecular FormulaC12H14INO
Molecular Weight315.15 g/mol
Exact Mass315.01
IUPAC NameN-but-3-en-2-yl-2-iodo-3-methylbenzamide
SMILESC=CC(C)NC(=O)c1cccc(C)c1I
InChIInChI=1S/C12H14INO/c1-4-9(3)14-12(15)10-7-5-6-8(2)11(10)13/h4-7,9H,1H2,2-3H3,(H,14,15)
InChIKeyWLUCBRLOFUJMSI-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dimethoxypropan-2-yl)-2-iodo-3-methylbenzamide
CID 114030618
N-[(1S)-1-(4-bromophenyl)ethyl]-2-iodo-3-methylbenzamide
CID 39708887
2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]acetic acid
CID 113263253
2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103769325
N-ethyl-2-iodo-3-methylbenzamide
CID 69076024
2-ethenyl-3-methyl-N-propan-2-ylbenzamide
CID 169452425
N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide
CID 51081725
2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 113265693
2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47221536
2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241559
N-(3-aminobutyl)-2-iodo-3-methylbenzamide
CID 103806260
2-iodo-3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46483070

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2-iodo-3-methylbenzamide?
The IUPAC name of N-but-3-en-2-yl-2-iodo-3-methylbenzamide (CID 103750095) is N-but-3-en-2-yl-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-but-3-en-2-yl-2-iodo-3-methylbenzamide?
The canonical SMILES for N-but-3-en-2-yl-2-iodo-3-methylbenzamide is C=CC(C)NC(=O)c1cccc(C)c1I.
What is the InChIKey of N-but-3-en-2-yl-2-iodo-3-methylbenzamide?
The InChIKey is WLUCBRLOFUJMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO/c1-4-9(3)14-12(15)10-7-5-6-8(2)11(10)13/h4-7,9H,1H2,2-3H3,(H,14,15).
What are the key properties of N-but-3-en-2-yl-2-iodo-3-methylbenzamide?
N-but-3-en-2-yl-2-iodo-3-methylbenzamide has a molecular weight of 315.15 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2-iodo-3-methylbenzamide is sourced from PubChem (CID 103750095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).