N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide

C15H13ClINO — CID 9217649

IUPACN-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cccc(I)c1
InChIInChI=1S/C15H13ClINO/c16-13-6-4-11(5-7-13)8-9-18-15(19)12-2-1-3-14(17)10-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyMILRLLPKHCABDF-UHFFFAOYSA-N
MW385.63 g/mol
LogP3.92
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide

N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide (PubChem CID 9217649) has the molecular formula C15H13ClINO and a molecular weight of 385.63 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide
PubChem CID9217649
Molecular FormulaC15H13ClINO
Molecular Weight385.63 g/mol
Exact Mass384.97
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cccc(I)c1
InChIInChI=1S/C15H13ClINO/c16-13-6-4-11(5-7-13)8-9-18-15(19)12-2-1-3-14(17)10-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyMILRLLPKHCABDF-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.63
LogP ≤ 53.92
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

1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
4-[2-[(3-iodobenzoyl)amino]ethyl]benzoic acid
CID 43233757
1-N-[2-(4-chlorophenyl)ethyl]-3-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050914
1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109055685
N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide
CID 16567606
N-(3-aminopropyl)-3-iodobenzamide
CID 28978873
3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 109055683
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
CID 17271850
3-iodo-N-(2-sulfanylethyl)benzamide
CID 130616001
N-(2-acetamidoethyl)-3-iodobenzamide
CID 7942065
3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889424
N-[2-(4-chlorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9217155

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide (CID 9217649) is N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide is O=C(NCCc1ccc(Cl)cc1)c1cccc(I)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide?
The InChIKey is MILRLLPKHCABDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO/c16-13-6-4-11(5-7-13)8-9-18-15(19)12-2-1-3-14(17)10-12/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide?
N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide has a molecular weight of 385.63 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide is sourced from PubChem (CID 9217649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).