2-amino-N-(3,5-difluoro-4-iodophenyl)-2-methylpentanamide;hydrochloride

C12H16ClF2IN2O — CID 119764617

IUPAC2-amino-N-(3,5-difluoro-4-iodophenyl)-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1cc(F)c(I)c(F)c1.Cl
InChIInChI=1S/C12H15F2IN2O.ClH/c1-3-4-12(2,16)11(18)17-7-5-8(13)10(15)9(14)6-7;/h5-6H,3-4,16H2,1-2H3,(H,17,18);1H
InChIKeyAXMDHCHHWKKPSK-UHFFFAOYSA-N
MW404.63 g/mol
LogP3.45
Rot. Bonds4

About 2-amino-N-(3,5-difluoro-4-iodophenyl)-2-methylpentanamide;hydrochloride

2-amino-N-(3,5-difluoro-4-iodophenyl)-2-methylpentanamide;hydrochloride (PubChem CID 119764617) has the molecular formula C12H16ClF2IN2O and a molecular weight of 404.63 g/mol. Its IUPAC name is 2-amino-N-(3,5-difluoro-4-iodophenyl)-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3,5-difluoro-4-iodophenyl)-2-methylpentanamide;hydrochloride
PubChem CID119764617
Molecular FormulaC12H16ClF2IN2O
Molecular Weight404.63 g/mol
Exact Mass404.00
IUPAC Name2-amino-N-(3,5-difluoro-4-iodophenyl)-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1cc(F)c(I)c(F)c1.Cl
InChIInChI=1S/C12H15F2IN2O.ClH/c1-3-4-12(2,16)11(18)17-7-5-8(13)10(15)9(14)6-7;/h5-6H,3-4,16H2,1-2H3,(H,17,18);1H
InChIKeyAXMDHCHHWKKPSK-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.63
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methylpentanamide
CID 60928269
2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride
CID 119735835
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 60848568
2-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methylpentanamide
CID 119811156
2-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylpentanamide
CID 102853754
2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide
CID 107611809
2-[(2-amino-2-methylpentanoyl)amino]-4,5-difluorobenzoic acid
CID 62866091
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660
2-amino-N-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-2-methylpentanamide
CID 119751481
2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpentanamide
CID 119778135
5-[(2-amino-2-methylpentanoyl)amino]-2,3-dimethylbenzoic acid
CID 63020011
methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate
CID 60848240

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-difluoro-4-iodophenyl)-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(3,5-difluoro-4-iodophenyl)-2-methylpentanamide;hydrochloride (CID 119764617) is 2-amino-N-(3,5-difluoro-4-iodophenyl)-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3,5-difluoro-4-iodophenyl)-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3,5-difluoro-4-iodophenyl)-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1cc(F)c(I)c(F)c1.Cl.
What is the InChIKey of 2-amino-N-(3,5-difluoro-4-iodophenyl)-2-methylpentanamide;hydrochloride?
The InChIKey is AXMDHCHHWKKPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2IN2O.ClH/c1-3-4-12(2,16)11(18)17-7-5-8(13)10(15)9(14)6-7;/h5-6H,3-4,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-amino-N-(3,5-difluoro-4-iodophenyl)-2-methylpentanamide;hydrochloride?
2-amino-N-(3,5-difluoro-4-iodophenyl)-2-methylpentanamide;hydrochloride has a molecular weight of 404.63 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-difluoro-4-iodophenyl)-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119764617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).