N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[5-(2-iodophenyl)tetrazol-2-yl]acetamide

C19H19FIN5O — CID 52909555

IUPACN-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[5-(2-iodophenyl)tetrazol-2-yl]acetamide
SMILESCC(C)[C@@H](NC(=O)Cn1nnc(-c2ccccc2I)n1)c1ccc(F)cc1
InChIInChI=1S/C19H19FIN5O/c1-12(2)18(13-7-9-14(20)10-8-13)22-17(27)11-26-24-19(23-25-26)15-5-3-4-6-16(15)21/h3-10,12,18H,11H2,1-2H3,(H,22,27)/t18-/m1/s1
InChIKeyUPMQJXILNMSUCH-GOSISDBHSA-N
MW479.30 g/mol
LogP3.60
Rot. Bonds6

About N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[5-(2-iodophenyl)tetrazol-2-yl]acetamide

N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[5-(2-iodophenyl)tetrazol-2-yl]acetamide (PubChem CID 52909555) has the molecular formula C19H19FIN5O and a molecular weight of 479.30 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[5-(2-iodophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[5-(2-iodophenyl)tetrazol-2-yl]acetamide
PubChem CID52909555
Molecular FormulaC19H19FIN5O
Molecular Weight479.30 g/mol
Exact Mass479.06
IUPAC NameN-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[5-(2-iodophenyl)tetrazol-2-yl]acetamide
SMILESCC(C)[C@@H](NC(=O)Cn1nnc(-c2ccccc2I)n1)c1ccc(F)cc1
InChIInChI=1S/C19H19FIN5O/c1-12(2)18(13-7-9-14(20)10-8-13)22-17(27)11-26-24-19(23-25-26)15-5-3-4-6-16(15)21/h3-10,12,18H,11H2,1-2H3,(H,22,27)/t18-/m1/s1
InChIKeyUPMQJXILNMSUCH-GOSISDBHSA-N
XLogP3.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[5-(2-iodophenyl)tetrazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8588061
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 51883487
N-[(1R)-1-(4-methylphenyl)propyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350149
N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7306317
N-[(2R)-1-methoxypropan-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350175
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3265449
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7634924
N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 2990806
ethyl 3-(4-methoxyphenyl)-3-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]propanoate
CID 5296511
2-(3-cyano-1,2,4-triazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 25352864
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8685269

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[5-(2-iodophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[5-(2-iodophenyl)tetrazol-2-yl]acetamide (CID 52909555) is N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[5-(2-iodophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[5-(2-iodophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[5-(2-iodophenyl)tetrazol-2-yl]acetamide is CC(C)[C@@H](NC(=O)Cn1nnc(-c2ccccc2I)n1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[5-(2-iodophenyl)tetrazol-2-yl]acetamide?
The InChIKey is UPMQJXILNMSUCH-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19FIN5O/c1-12(2)18(13-7-9-14(20)10-8-13)22-17(27)11-26-24-19(23-25-26)15-5-3-4-6-16(15)21/h3-10,12,18H,11H2,1-2H3,(H,22,27)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[5-(2-iodophenyl)tetrazol-2-yl]acetamide?
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[5-(2-iodophenyl)tetrazol-2-yl]acetamide has a molecular weight of 479.30 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[5-(2-iodophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 52909555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).