N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide

C13H18FN3O3 — CID 43380765

IUPACN-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1ccc(OC)c(F)c1
InChIInChI=1S/C13H18FN3O3/c1-4-15-13(19)17-12(18)8(2)16-9-5-6-11(20-3)10(14)7-9/h5-8,16H,4H2,1-3H3,(H2,15,17,18,19)
InChIKeyOCDXXXHDKDUXFM-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.48
Rot. Bonds5

About N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide

N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide (PubChem CID 43380765) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide
PubChem CID43380765
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1ccc(OC)c(F)c1
InChIInChI=1S/C13H18FN3O3/c1-4-15-13(19)17-12(18)8(2)16-9-5-6-11(20-3)10(14)7-9/h5-8,16H,4H2,1-3H3,(H2,15,17,18,19)
InChIKeyOCDXXXHDKDUXFM-UHFFFAOYSA-N
XLogP1.48
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide
CID 43380767
2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide
CID 43380763
2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide
CID 43083882
(2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide
CID 94818789
(2R)-N-(ethylcarbamoyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 28888999
2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide
CID 107789245
N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 17443888
2-(4-acetamidoanilino)-N-(ethylcarbamoyl)propanamide
CID 43083279
N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123150
2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide
CID 113399730
(2R)-N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methoxy]anilino]propanamide
CID 35627370
(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide
CID 25408683

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide (CID 43380765) is N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide is CCNC(=O)NC(=O)C(C)Nc1ccc(OC)c(F)c1.
What is the InChIKey of N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide?
The InChIKey is OCDXXXHDKDUXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-4-15-13(19)17-12(18)8(2)16-9-5-6-11(20-3)10(14)7-9/h5-8,16H,4H2,1-3H3,(H2,15,17,18,19).
What are the key properties of N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide?
N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide has a molecular weight of 283.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide is sourced from PubChem (CID 43380765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).