N-(3-chlorophenyl)-3-iodopropanamide

C9H9ClINO — CID 64788380

IUPACN-(3-chlorophenyl)-3-iodopropanamide
SMILESO=C(CCI)Nc1cccc(Cl)c1
InChIInChI=1S/C9H9ClINO/c10-7-2-1-3-8(6-7)12-9(13)4-5-11/h1-3,6H,4-5H2,(H,12,13)
InChIKeyQTNQADQXFAQENK-UHFFFAOYSA-N
MW309.53 g/mol
LogP3.10
Rot. Bonds3

About N-(3-chlorophenyl)-3-iodopropanamide

N-(3-chlorophenyl)-3-iodopropanamide (PubChem CID 64788380) has the molecular formula C9H9ClINO and a molecular weight of 309.53 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-iodopropanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-iodopropanamide
PubChem CID64788380
Molecular FormulaC9H9ClINO
Molecular Weight309.53 g/mol
Exact Mass308.94
IUPAC NameN-(3-chlorophenyl)-3-iodopropanamide
SMILESO=C(CCI)Nc1cccc(Cl)c1
InChIInChI=1S/C9H9ClINO/c10-7-2-1-3-8(6-7)12-9(13)4-5-11/h1-3,6H,4-5H2,(H,12,13)
InChIKeyQTNQADQXFAQENK-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.53
LogP ≤ 53.10
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,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
3-iodo-N-[3-[[3-(3-iodopropanoylamino)phenyl]methyl]phenyl]propanamide
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N-(3-chlorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
CID 4745825
potassium [3-(3-chloroanilino)-3-oxopropyl]-trifluoroboranuide
CID 91759454
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
methyl 5-(3-chloroanilino)-5-oxopentanoate
CID 3987569
3-(3-chloroanilino)-N-phenylpropanamide
CID 109033817
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide
CID 109012094
N-(3-chlorophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110420604
N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651
5-amino-N-(3-chlorophenyl)hexanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-iodopropanamide?
The IUPAC name of N-(3-chlorophenyl)-3-iodopropanamide (CID 64788380) is N-(3-chlorophenyl)-3-iodopropanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-iodopropanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-iodopropanamide is O=C(CCI)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-iodopropanamide?
The InChIKey is QTNQADQXFAQENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClINO/c10-7-2-1-3-8(6-7)12-9(13)4-5-11/h1-3,6H,4-5H2,(H,12,13).
What are the key properties of N-(3-chlorophenyl)-3-iodopropanamide?
N-(3-chlorophenyl)-3-iodopropanamide has a molecular weight of 309.53 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-iodopropanamide is sourced from PubChem (CID 64788380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).