N-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide

C15H19F2N3O4 — CID 24652338

IUPACN-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
SMILESCOc1ccc(NC(C)C(=O)NC(=O)NC2CC2)cc1OC(F)F
InChIInChI=1S/C15H19F2N3O4/c1-8(13(21)20-15(22)19-9-3-4-9)18-10-5-6-11(23-2)12(7-10)24-14(16)17/h5-9,14,18H,3-4H2,1-2H3,(H2,19,20,21,22)
InChIKeyMVQVTIQELRPENF-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.09
Rot. Bonds7

About N-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide

N-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide (PubChem CID 24652338) has the molecular formula C15H19F2N3O4 and a molecular weight of 343.33 g/mol. Its IUPAC name is N-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide.

Molecular Properties

Compound NameN-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
PubChem CID24652338
Molecular FormulaC15H19F2N3O4
Molecular Weight343.33 g/mol
Exact Mass343.13
IUPAC NameN-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
SMILESCOc1ccc(NC(C)C(=O)NC(=O)NC2CC2)cc1OC(F)F
InChIInChI=1S/C15H19F2N3O4/c1-8(13(21)20-15(22)19-9-3-4-9)18-10-5-6-11(23-2)12(7-10)24-14(16)17/h5-9,14,18H,3-4H2,1-2H3,(H2,19,20,21,22)
InChIKeyMVQVTIQELRPENF-UHFFFAOYSA-N
XLogP2.09
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide
CID 51281599
methyl 2-[3-(difluoromethoxy)-4-methoxyanilino]propanoate
CID 66174525
1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 134039305
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide
CID 24652292
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide
CID 134039312
N-(3,5-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652283
N-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide
CID 51281614
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide
CID 24652308
N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652282
N-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652325
N-(2,5-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 42941663
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 7213942

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide?
The IUPAC name of N-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide (CID 24652338) is N-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide.
What is the SMILES notation for N-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide?
The canonical SMILES for N-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide is COc1ccc(NC(C)C(=O)NC(=O)NC2CC2)cc1OC(F)F.
What is the InChIKey of N-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide?
The InChIKey is MVQVTIQELRPENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O4/c1-8(13(21)20-15(22)19-9-3-4-9)18-10-5-6-11(23-2)12(7-10)24-14(16)17/h5-9,14,18H,3-4H2,1-2H3,(H2,19,20,21,22).
What are the key properties of N-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide?
N-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide has a molecular weight of 343.33 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide is sourced from PubChem (CID 24652338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).