N-(1-chloropropan-2-yl)-3-iodobenzamide

C10H11ClINO — CID 114299662

IUPACN-(1-chloropropan-2-yl)-3-iodobenzamide
SMILESCC(CCl)NC(=O)c1cccc(I)c1
InChIInChI=1S/C10H11ClINO/c1-7(6-11)13-10(14)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyCVMHBCUQBBZBPK-UHFFFAOYSA-N
MW323.56 g/mol
LogP2.65
Rot. Bonds3

About N-(1-chloropropan-2-yl)-3-iodobenzamide

N-(1-chloropropan-2-yl)-3-iodobenzamide (PubChem CID 114299662) has the molecular formula C10H11ClINO and a molecular weight of 323.56 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-3-iodobenzamide
PubChem CID114299662
Molecular FormulaC10H11ClINO
Molecular Weight323.56 g/mol
Exact Mass322.96
IUPAC NameN-(1-chloropropan-2-yl)-3-iodobenzamide
SMILESCC(CCl)NC(=O)c1cccc(I)c1
InChIInChI=1S/C10H11ClINO/c1-7(6-11)13-10(14)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyCVMHBCUQBBZBPK-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.56
LogP ≤ 52.65
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-(4-chlorobutan-2-yl)-3-iodobenzamide
CID 83187759
3-iodo-N-pentan-2-ylbenzamide
CID 2886291
N-(1-aminopropan-2-yl)-3-iodobenzamide
CID 63733818
3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104854865
N-(1-chloropropan-2-yl)benzamide
CID 3683093
N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide
CID 54938221
3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 60722842
3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 54937836
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide
CID 130166251
3-iodo-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100513830
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
N-but-3-yn-2-yl-3-iodobenzamide
CID 114389760

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-3-iodobenzamide?
The IUPAC name of N-(1-chloropropan-2-yl)-3-iodobenzamide (CID 114299662) is N-(1-chloropropan-2-yl)-3-iodobenzamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-3-iodobenzamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-3-iodobenzamide is CC(CCl)NC(=O)c1cccc(I)c1.
What is the InChIKey of N-(1-chloropropan-2-yl)-3-iodobenzamide?
The InChIKey is CVMHBCUQBBZBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClINO/c1-7(6-11)13-10(14)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14).
What are the key properties of N-(1-chloropropan-2-yl)-3-iodobenzamide?
N-(1-chloropropan-2-yl)-3-iodobenzamide has a molecular weight of 323.56 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-3-iodobenzamide is sourced from PubChem (CID 114299662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).