N-(3-fluoro-2-iodophenyl)-3-(propan-2-ylamino)propanamide

C12H16FIN2O — CID 114259736

IUPACN-(3-fluoro-2-iodophenyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1cccc(F)c1I
InChIInChI=1S/C12H16FIN2O/c1-8(2)15-7-6-11(17)16-10-5-3-4-9(13)12(10)14/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyPQDUGHLHARAWAO-UHFFFAOYSA-N
MW350.18 g/mol
LogP2.76
Rot. Bonds5

About N-(3-fluoro-2-iodophenyl)-3-(propan-2-ylamino)propanamide

N-(3-fluoro-2-iodophenyl)-3-(propan-2-ylamino)propanamide (PubChem CID 114259736) has the molecular formula C12H16FIN2O and a molecular weight of 350.18 g/mol. Its IUPAC name is N-(3-fluoro-2-iodophenyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(3-fluoro-2-iodophenyl)-3-(propan-2-ylamino)propanamide
PubChem CID114259736
Molecular FormulaC12H16FIN2O
Molecular Weight350.18 g/mol
Exact Mass350.03
IUPAC NameN-(3-fluoro-2-iodophenyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1cccc(F)c1I
InChIInChI=1S/C12H16FIN2O/c1-8(2)15-7-6-11(17)16-10-5-3-4-9(13)12(10)14/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyPQDUGHLHARAWAO-UHFFFAOYSA-N
XLogP2.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 52.76
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-[1-(2,6-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 54861876
(2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide
CID 130498725
N-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide
CID 60853978
N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide
CID 54924858
2-(4-chlorophenyl)-N-(3-fluoro-2-iodophenyl)acetamide
CID 113340918
N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 60853808
N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 60852332
1-(3-fluoro-2-iodophenyl)-3-methylurea
CID 130164598
N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 62954985
N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 109011721
N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide
CID 109011722
N-(2,3-difluorophenyl)-4-hydroxypentanamide
CID 79193547

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-iodophenyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(3-fluoro-2-iodophenyl)-3-(propan-2-ylamino)propanamide (CID 114259736) is N-(3-fluoro-2-iodophenyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(3-fluoro-2-iodophenyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(3-fluoro-2-iodophenyl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)Nc1cccc(F)c1I.
What is the InChIKey of N-(3-fluoro-2-iodophenyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is PQDUGHLHARAWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FIN2O/c1-8(2)15-7-6-11(17)16-10-5-3-4-9(13)12(10)14/h3-5,8,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of N-(3-fluoro-2-iodophenyl)-3-(propan-2-ylamino)propanamide?
N-(3-fluoro-2-iodophenyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 350.18 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-iodophenyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 114259736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).