N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide

C12H16FN3O2 — CID 43083893

IUPACN-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1ccccc1F
InChIInChI=1S/C12H16FN3O2/c1-3-14-12(18)16-11(17)8(2)15-10-7-5-4-6-9(10)13/h4-8,15H,3H2,1-2H3,(H2,14,16,17,18)
InChIKeySRMULLMIUSSCRO-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.47
Rot. Bonds4

About N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide

N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide (PubChem CID 43083893) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide
PubChem CID43083893
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC NameN-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1ccccc1F
InChIInChI=1S/C12H16FN3O2/c1-3-14-12(18)16-11(17)8(2)15-10-7-5-4-6-9(10)13/h4-8,15H,3H2,1-2H3,(H2,14,16,17,18)
InChIKeySRMULLMIUSSCRO-UHFFFAOYSA-N
XLogP1.47
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43083891
2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 43083937
2-(2-tert-butylanilino)-N-(ethylcarbamoyl)propanamide
CID 60679283
2-(2-fluoroanilino)-N-pentylpropanamide
CID 43113406
N-butan-2-yl-2-(2-fluoroanilino)propanamide
CID 43113405
2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide
CID 103478867
2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 107528257
2-(2-fluoroanilino)-N-pentan-2-ylpropanamide
CID 43113411
ethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate
CID 47068847
N-[3-[[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]butanamide
CID 94796277
2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 47062079
2-(2-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088644

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide (CID 43083893) is N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide is CCNC(=O)NC(=O)C(C)Nc1ccccc1F.
What is the InChIKey of N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide?
The InChIKey is SRMULLMIUSSCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-3-14-12(18)16-11(17)8(2)15-10-7-5-4-6-9(10)13/h4-8,15H,3H2,1-2H3,(H2,14,16,17,18).
What are the key properties of N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide?
N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide has a molecular weight of 253.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide is sourced from PubChem (CID 43083893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).