N-[2-[(4-chloro-2-iodoanilino)methyl]phenyl]acetamide

C15H14ClIN2O — CID 107631977

IUPACN-[2-[(4-chloro-2-iodoanilino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNc1ccc(Cl)cc1I
InChIInChI=1S/C15H14ClIN2O/c1-10(20)19-14-5-3-2-4-11(14)9-18-15-7-6-12(16)8-13(15)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyHLIIZTIGSUSIPT-UHFFFAOYSA-N
MW400.65 g/mol
LogP4.52
Rot. Bonds4

About N-[2-[(4-chloro-2-iodoanilino)methyl]phenyl]acetamide

N-[2-[(4-chloro-2-iodoanilino)methyl]phenyl]acetamide (PubChem CID 107631977) has the molecular formula C15H14ClIN2O and a molecular weight of 400.65 g/mol. Its IUPAC name is N-[2-[(4-chloro-2-iodoanilino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-chloro-2-iodoanilino)methyl]phenyl]acetamide
PubChem CID107631977
Molecular FormulaC15H14ClIN2O
Molecular Weight400.65 g/mol
Exact Mass399.98
IUPAC NameN-[2-[(4-chloro-2-iodoanilino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNc1ccc(Cl)cc1I
InChIInChI=1S/C15H14ClIN2O/c1-10(20)19-14-5-3-2-4-11(14)9-18-15-7-6-12(16)8-13(15)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyHLIIZTIGSUSIPT-UHFFFAOYSA-N
XLogP4.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.65
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-chloro-2-fluoroanilino)methyl]phenyl]acetamide
CID 66387469
N-[2-[(2,5-dichloroanilino)methyl]phenyl]acetamide
CID 66387224
N-[2-[(2-bromo-5-chloroanilino)methyl]phenyl]acetamide
CID 81264520
N-[2-[(2,4,5-trichloroanilino)methyl]phenyl]acetamide
CID 66387225
N-[4-chloro-2-[[2-(2,4-dichlorophenoxy)anilino]methyl]phenyl]acetamide
CID 42613873
N-[(2-bromophenyl)methyl]-4-chloro-2-iodoaniline
CID 107631624
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
2-[(4-chloro-2-iodoanilino)methyl]-6-methylphenol
CID 107631732
N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide
CID 66385222
N-(4-chloro-2-iodophenyl)-2-ethylbenzamide
CID 113268300
N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide
CID 107679126
N-benzyl-4-chloro-2-iodoaniline
CID 71507320

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chloro-2-iodoanilino)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(4-chloro-2-iodoanilino)methyl]phenyl]acetamide (CID 107631977) is N-[2-[(4-chloro-2-iodoanilino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(4-chloro-2-iodoanilino)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(4-chloro-2-iodoanilino)methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNc1ccc(Cl)cc1I.
What is the InChIKey of N-[2-[(4-chloro-2-iodoanilino)methyl]phenyl]acetamide?
The InChIKey is HLIIZTIGSUSIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIN2O/c1-10(20)19-14-5-3-2-4-11(14)9-18-15-7-6-12(16)8-13(15)17/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of N-[2-[(4-chloro-2-iodoanilino)methyl]phenyl]acetamide?
N-[2-[(4-chloro-2-iodoanilino)methyl]phenyl]acetamide has a molecular weight of 400.65 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chloro-2-iodoanilino)methyl]phenyl]acetamide is sourced from PubChem (CID 107631977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).