3-fluoro-4-iodo-N-[(3R)-2-oxo-1-phenylazetidin-3-yl]benzamide

C16H12FIN2O2 — CID 97350110

IUPAC3-fluoro-4-iodo-N-[(3R)-2-oxo-1-phenylazetidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CN(c2ccccc2)C1=O)c1ccc(I)c(F)c1
InChIInChI=1S/C16H12FIN2O2/c17-12-8-10(6-7-13(12)18)15(21)19-14-9-20(16(14)22)11-4-2-1-3-5-11/h1-8,14H,9H2,(H,19,21)/t14-/m1/s1
InChIKeyGMWRQONEYRHDJW-CQSZACIVSA-N
MW410.19 g/mol
LogP2.58
Rot. Bonds3

About 3-fluoro-4-iodo-N-[(3R)-2-oxo-1-phenylazetidin-3-yl]benzamide

3-fluoro-4-iodo-N-[(3R)-2-oxo-1-phenylazetidin-3-yl]benzamide (PubChem CID 97350110) has the molecular formula C16H12FIN2O2 and a molecular weight of 410.19 g/mol. Its IUPAC name is 3-fluoro-4-iodo-N-[(3R)-2-oxo-1-phenylazetidin-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-iodo-N-[(3R)-2-oxo-1-phenylazetidin-3-yl]benzamide
PubChem CID97350110
Molecular FormulaC16H12FIN2O2
Molecular Weight410.19 g/mol
Exact Mass409.99
IUPAC Name3-fluoro-4-iodo-N-[(3R)-2-oxo-1-phenylazetidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CN(c2ccccc2)C1=O)c1ccc(I)c(F)c1
InChIInChI=1S/C16H12FIN2O2/c17-12-8-10(6-7-13(12)18)15(21)19-14-9-20(16(14)22)11-4-2-1-3-5-11/h1-8,14H,9H2,(H,19,21)/t14-/m1/s1
InChIKeyGMWRQONEYRHDJW-CQSZACIVSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.19
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234414
N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide
CID 136522257
3,4-dimethoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524569
3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 164634853
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
(3R,4R)-4-[(4-chlorobenzoyl)amino]-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 67794242
(3R,4S)-4-[(4-chlorobenzoyl)amino]-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 67793964
3,4-bis(difluoromethoxy)-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide
CID 10025470
N-[(2S)-1-oxo-1-[[(3R)-2-oxo-1-phenylazetidin-3-yl]amino]propan-2-yl]furan-3-carboxamide
CID 97349458
N-[(3S)-2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]benzamide
CID 137355564
4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95239356
4-(dimethylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 71839219

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-iodo-N-[(3R)-2-oxo-1-phenylazetidin-3-yl]benzamide?
The IUPAC name of 3-fluoro-4-iodo-N-[(3R)-2-oxo-1-phenylazetidin-3-yl]benzamide (CID 97350110) is 3-fluoro-4-iodo-N-[(3R)-2-oxo-1-phenylazetidin-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-4-iodo-N-[(3R)-2-oxo-1-phenylazetidin-3-yl]benzamide?
The canonical SMILES for 3-fluoro-4-iodo-N-[(3R)-2-oxo-1-phenylazetidin-3-yl]benzamide is O=C(N[C@@H]1CN(c2ccccc2)C1=O)c1ccc(I)c(F)c1.
What is the InChIKey of 3-fluoro-4-iodo-N-[(3R)-2-oxo-1-phenylazetidin-3-yl]benzamide?
The InChIKey is GMWRQONEYRHDJW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H12FIN2O2/c17-12-8-10(6-7-13(12)18)15(21)19-14-9-20(16(14)22)11-4-2-1-3-5-11/h1-8,14H,9H2,(H,19,21)/t14-/m1/s1.
What are the key properties of 3-fluoro-4-iodo-N-[(3R)-2-oxo-1-phenylazetidin-3-yl]benzamide?
3-fluoro-4-iodo-N-[(3R)-2-oxo-1-phenylazetidin-3-yl]benzamide has a molecular weight of 410.19 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-iodo-N-[(3R)-2-oxo-1-phenylazetidin-3-yl]benzamide is sourced from PubChem (CID 97350110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).