N-(ethylcarbamoyl)-2-(3-iodo-4-methylanilino)-2-phenylacetamide

C18H20IN3O2 — CID 24561891

IUPACN-(ethylcarbamoyl)-2-(3-iodo-4-methylanilino)-2-phenylacetamide
SMILESCCNC(=O)NC(=O)C(Nc1ccc(C)c(I)c1)c1ccccc1
InChIInChI=1S/C18H20IN3O2/c1-3-20-18(24)22-17(23)16(13-7-5-4-6-8-13)21-14-10-9-12(2)15(19)11-14/h4-11,16,21H,3H2,1-2H3,(H2,20,22,23,24)
InChIKeyLYDSBEOGEWDSCU-UHFFFAOYSA-N
MW437.28 g/mol
LogP3.60
Rot. Bonds5

About N-(ethylcarbamoyl)-2-(3-iodo-4-methylanilino)-2-phenylacetamide

N-(ethylcarbamoyl)-2-(3-iodo-4-methylanilino)-2-phenylacetamide (PubChem CID 24561891) has the molecular formula C18H20IN3O2 and a molecular weight of 437.28 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-(3-iodo-4-methylanilino)-2-phenylacetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-(3-iodo-4-methylanilino)-2-phenylacetamide
PubChem CID24561891
Molecular FormulaC18H20IN3O2
Molecular Weight437.28 g/mol
Exact Mass437.06
IUPAC NameN-(ethylcarbamoyl)-2-(3-iodo-4-methylanilino)-2-phenylacetamide
SMILESCCNC(=O)NC(=O)C(Nc1ccc(C)c(I)c1)c1ccccc1
InChIInChI=1S/C18H20IN3O2/c1-3-20-18(24)22-17(23)16(13-7-5-4-6-8-13)21-14-10-9-12(2)15(19)11-14/h4-11,16,21H,3H2,1-2H3,(H2,20,22,23,24)
InChIKeyLYDSBEOGEWDSCU-UHFFFAOYSA-N
XLogP3.60
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.28
LogP ≤ 53.60
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

3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide
CID 18086382
(2R)-N-(ethylcarbamoyl)-2-phenyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 40794821
(2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid
CID 7148217
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 8599191
(2R)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 8599195
(2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide
CID 7509578
(2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide
CID 7509504
N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 17443888
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate
CID 8708894
2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide
CID 113219253
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-hydroxy-4-methylbenzoate
CID 55460171
N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide
CID 47079085

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-(3-iodo-4-methylanilino)-2-phenylacetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-(3-iodo-4-methylanilino)-2-phenylacetamide (CID 24561891) is N-(ethylcarbamoyl)-2-(3-iodo-4-methylanilino)-2-phenylacetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-(3-iodo-4-methylanilino)-2-phenylacetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-(3-iodo-4-methylanilino)-2-phenylacetamide is CCNC(=O)NC(=O)C(Nc1ccc(C)c(I)c1)c1ccccc1.
What is the InChIKey of N-(ethylcarbamoyl)-2-(3-iodo-4-methylanilino)-2-phenylacetamide?
The InChIKey is LYDSBEOGEWDSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20IN3O2/c1-3-20-18(24)22-17(23)16(13-7-5-4-6-8-13)21-14-10-9-12(2)15(19)11-14/h4-11,16,21H,3H2,1-2H3,(H2,20,22,23,24).
What are the key properties of N-(ethylcarbamoyl)-2-(3-iodo-4-methylanilino)-2-phenylacetamide?
N-(ethylcarbamoyl)-2-(3-iodo-4-methylanilino)-2-phenylacetamide has a molecular weight of 437.28 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-(3-iodo-4-methylanilino)-2-phenylacetamide is sourced from PubChem (CID 24561891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).