N-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide

C12H14FIN2O2 — CID 113222881

IUPACN-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(N)=O)C(=O)c1ccc(F)cc1I
InChIInChI=1S/C12H14FIN2O2/c1-7(2)16(6-11(15)17)12(18)9-4-3-8(13)5-10(9)14/h3-5,7H,6H2,1-2H3,(H2,15,17)
InChIKeyJOOMTQNJHMOBCB-UHFFFAOYSA-N
MW364.16 g/mol
LogP1.77
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide

N-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide (PubChem CID 113222881) has the molecular formula C12H14FIN2O2 and a molecular weight of 364.16 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide
PubChem CID113222881
Molecular FormulaC12H14FIN2O2
Molecular Weight364.16 g/mol
Exact Mass364.01
IUPAC NameN-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(N)=O)C(=O)c1ccc(F)cc1I
InChIInChI=1S/C12H14FIN2O2/c1-7(2)16(6-11(15)17)12(18)9-4-3-8(13)5-10(9)14/h3-5,7H,6H2,1-2H3,(H2,15,17)
InChIKeyJOOMTQNJHMOBCB-UHFFFAOYSA-N
XLogP1.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.16
LogP ≤ 51.77
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

N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide
CID 103865091
3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide
CID 113366951
5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120617672
2-[(4-fluoro-2-iodophenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 79766999
4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide
CID 103857248
4-chloro-N-ethyl-2-iodo-N-propan-2-ylbenzamide
CID 121012728
2-[2-(dimethylamino)ethyl-(4-fluoro-2-iodobenzoyl)amino]acetic acid
CID 103802814
N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide
CID 43136631
N-(2-bromoethyl)-2,4-difluoro-N-propan-2-ylbenzamide
CID 80665263
N-(2-amino-2-hydroxyiminoethyl)-4-fluoro-N-propan-2-ylbenzamide
CID 77044558
N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride
CID 119995600
N-(3-amino-2,2-dimethylpropyl)-4-fluoro-2-iodo-N-methylbenzamide
CID 113265912

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide (CID 113222881) is N-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide is CC(C)N(CC(N)=O)C(=O)c1ccc(F)cc1I.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide?
The InChIKey is JOOMTQNJHMOBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FIN2O2/c1-7(2)16(6-11(15)17)12(18)9-4-3-8(13)5-10(9)14/h3-5,7H,6H2,1-2H3,(H2,15,17).
What are the key properties of N-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide?
N-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide has a molecular weight of 364.16 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide is sourced from PubChem (CID 113222881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).