N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide

C15H13ClINO — CID 2242817

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
SMILESC[C@H](NC(=O)c1ccccc1I)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClINO/c1-10(11-6-8-12(16)9-7-11)18-15(19)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyCDNAWYATZTXYAQ-JTQLQIEISA-N
MW385.63 g/mol
LogP4.44
Rot. Bonds3

About N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide (PubChem CID 2242817) has the molecular formula C15H13ClINO and a molecular weight of 385.63 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
PubChem CID2242817
Molecular FormulaC15H13ClINO
Molecular Weight385.63 g/mol
Exact Mass384.97
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
SMILESC[C@H](NC(=O)c1ccccc1I)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClINO/c1-10(11-6-8-12(16)9-7-11)18-15(19)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyCDNAWYATZTXYAQ-JTQLQIEISA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.63
LogP ≤ 54.44
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-[(1R)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242814
2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide
CID 2981930
N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide
CID 42906427
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 3389695
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 25443183
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide
CID 8751575
N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide
CID 43297726
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide
CID 81356651
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-nitrobenzamide
CID 800221

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide (CID 2242817) is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide is C[C@H](NC(=O)c1ccccc1I)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide?
The InChIKey is CDNAWYATZTXYAQ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13ClINO/c1-10(11-6-8-12(16)9-7-11)18-15(19)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide has a molecular weight of 385.63 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide is sourced from PubChem (CID 2242817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).