N-[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-5-fluoro-2-iodobenzamide

C16H13FIN3O3 — CID 86878003

IUPACN-[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-5-fluoro-2-iodobenzamide
SMILESNC(=O)CNC(=O)c1ccc(NC(=O)c2cc(F)ccc2I)cc1
InChIInChI=1S/C16H13FIN3O3/c17-10-3-6-13(18)12(7-10)16(24)21-11-4-1-9(2-5-11)15(23)20-8-14(19)22/h1-7H,8H2,(H2,19,22)(H,20,23)(H,21,24)
InChIKeyZMSDOMLTWXPGPG-UHFFFAOYSA-N
MW441.20 g/mol
LogP1.90
Rot. Bonds5

About N-[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-5-fluoro-2-iodobenzamide

N-[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-5-fluoro-2-iodobenzamide (PubChem CID 86878003) has the molecular formula C16H13FIN3O3 and a molecular weight of 441.20 g/mol. Its IUPAC name is N-[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-5-fluoro-2-iodobenzamide.

Molecular Properties

Compound NameN-[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-5-fluoro-2-iodobenzamide
PubChem CID86878003
Molecular FormulaC16H13FIN3O3
Molecular Weight441.20 g/mol
Exact Mass441.00
IUPAC NameN-[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-5-fluoro-2-iodobenzamide
SMILESNC(=O)CNC(=O)c1ccc(NC(=O)c2cc(F)ccc2I)cc1
InChIInChI=1S/C16H13FIN3O3/c17-10-3-6-13(18)12(7-10)16(24)21-11-4-1-9(2-5-11)15(23)20-8-14(19)22/h1-7H,8H2,(H2,19,22)(H,20,23)(H,21,24)
InChIKeyZMSDOMLTWXPGPG-UHFFFAOYSA-N
XLogP1.90
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.20
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2,5-diiodobenzamide
CID 46495854
methyl 2-[[4-[(2-bromo-5-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 46611840
N-(2-amino-2-oxoethyl)-4-iodobenzamide
CID 60668486
4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide
CID 121062019
methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 9049144
2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 78802909
N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide
CID 115745097
2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434759
3-[[4-[(2,4-difluorobenzoyl)amino]benzoyl]amino]propanoic acid
CID 108808623
N-[4-(2-amino-2-oxoethyl)phenyl]-4-fluoro-2-methylbenzamide
CID 115745419
4-[[2-(difluoromethyl)-5-fluorobenzoyl]amino]benzoic acid
CID 153301739
N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26697243

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-5-fluoro-2-iodobenzamide?
The IUPAC name of N-[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-5-fluoro-2-iodobenzamide (CID 86878003) is N-[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-5-fluoro-2-iodobenzamide.
What is the SMILES notation for N-[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-5-fluoro-2-iodobenzamide?
The canonical SMILES for N-[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-5-fluoro-2-iodobenzamide is NC(=O)CNC(=O)c1ccc(NC(=O)c2cc(F)ccc2I)cc1.
What is the InChIKey of N-[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-5-fluoro-2-iodobenzamide?
The InChIKey is ZMSDOMLTWXPGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FIN3O3/c17-10-3-6-13(18)12(7-10)16(24)21-11-4-1-9(2-5-11)15(23)20-8-14(19)22/h1-7H,8H2,(H2,19,22)(H,20,23)(H,21,24).
What are the key properties of N-[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-5-fluoro-2-iodobenzamide?
N-[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-5-fluoro-2-iodobenzamide has a molecular weight of 441.20 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-5-fluoro-2-iodobenzamide is sourced from PubChem (CID 86878003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).