(2S)-N-(4-fluorophenyl)-2-(iodoamino)-3-phenylpropanamide

C15H14FIN2O — CID 163435267

IUPAC(2S)-N-(4-fluorophenyl)-2-(iodoamino)-3-phenylpropanamide
SMILESO=C(Nc1ccc(F)cc1)[C@H](Cc1ccccc1)NI
InChIInChI=1S/C15H14FIN2O/c16-12-6-8-13(9-7-12)18-15(20)14(19-17)10-11-4-2-1-3-5-11/h1-9,14,19H,10H2,(H,18,20)/t14-/m0/s1
InChIKeyATYOUMMRXRCECC-AWEZNQCLSA-N
MW384.19 g/mol
LogP3.32
Rot. Bonds5

About (2S)-N-(4-fluorophenyl)-2-(iodoamino)-3-phenylpropanamide

(2S)-N-(4-fluorophenyl)-2-(iodoamino)-3-phenylpropanamide (PubChem CID 163435267) has the molecular formula C15H14FIN2O and a molecular weight of 384.19 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-(iodoamino)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-(iodoamino)-3-phenylpropanamide
PubChem CID163435267
Molecular FormulaC15H14FIN2O
Molecular Weight384.19 g/mol
Exact Mass384.01
IUPAC Name(2S)-N-(4-fluorophenyl)-2-(iodoamino)-3-phenylpropanamide
SMILESO=C(Nc1ccc(F)cc1)[C@H](Cc1ccccc1)NI
InChIInChI=1S/C15H14FIN2O/c16-12-6-8-13(9-7-12)18-15(20)14(19-17)10-11-4-2-1-3-5-11/h1-9,14,19H,10H2,(H,18,20)/t14-/m0/s1
InChIKeyATYOUMMRXRCECC-AWEZNQCLSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.19
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540814
(2R)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540829
(2S)-N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1208444
4-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide
CID 28541065
(2S)-N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541415
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-3-phenylpropanamide
CID 1076059
(2R)-2-formamido-N,3-diphenylpropanamide
CID 167282540
tert-butyl N-[(2R)-1-[[(2S)-1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10528401
N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 134008809
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-methyl-3-phenylpropanamide
CID 28540532
N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 142474792
N-[1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 146544712

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-2-(iodoamino)-3-phenylpropanamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-(iodoamino)-3-phenylpropanamide (CID 163435267) is (2S)-N-(4-fluorophenyl)-2-(iodoamino)-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-(iodoamino)-3-phenylpropanamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-(iodoamino)-3-phenylpropanamide is O=C(Nc1ccc(F)cc1)[C@H](Cc1ccccc1)NI.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-(iodoamino)-3-phenylpropanamide?
The InChIKey is ATYOUMMRXRCECC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14FIN2O/c16-12-6-8-13(9-7-12)18-15(20)14(19-17)10-11-4-2-1-3-5-11/h1-9,14,19H,10H2,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-(iodoamino)-3-phenylpropanamide?
(2S)-N-(4-fluorophenyl)-2-(iodoamino)-3-phenylpropanamide has a molecular weight of 384.19 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-2-(iodoamino)-3-phenylpropanamide is sourced from PubChem (CID 163435267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).