N-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide

C13H17F2N3O3 — CID 79882227

IUPACN-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
SMILESCCNCc1cc(F)c(OC(C)C(=O)NC(N)=O)c(F)c1
InChIInChI=1S/C13H17F2N3O3/c1-3-17-6-8-4-9(14)11(10(15)5-8)21-7(2)12(19)18-13(16)20/h4-5,7,17H,3,6H2,1-2H3,(H3,16,18,19,20)
InChIKeyJIOFCIPVQXPKOB-UHFFFAOYSA-N
MW301.29 g/mol
LogP1.04
Rot. Bonds6

About N-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide

N-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide (PubChem CID 79882227) has the molecular formula C13H17F2N3O3 and a molecular weight of 301.29 g/mol. Its IUPAC name is N-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
PubChem CID79882227
Molecular FormulaC13H17F2N3O3
Molecular Weight301.29 g/mol
Exact Mass301.12
IUPAC NameN-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
SMILESCCNCc1cc(F)c(OC(C)C(=O)NC(N)=O)c(F)c1
InChIInChI=1S/C13H17F2N3O3/c1-3-17-6-8-4-9(14)11(10(15)5-8)21-7(2)12(19)18-13(16)20/h4-5,7,17H,3,6H2,1-2H3,(H3,16,18,19,20)
InChIKeyJIOFCIPVQXPKOB-UHFFFAOYSA-N
XLogP1.04
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
CID 79891642
N-cyclopropyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
CID 79882235
N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79892242
2-[2,6-difluoro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 79883879
N-carbamoyl-2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]propanamide
CID 107741741
N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide
CID 43515774
ethyl 2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]propanoate
CID 79892083
2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide
CID 79887608
N-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide
CID 112611670
N-butan-2-yl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]propanamide
CID 107686802
2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide
CID 79886751
2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79891352

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide?
The IUPAC name of N-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide (CID 79882227) is N-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide.
What is the SMILES notation for N-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide?
The canonical SMILES for N-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide is CCNCc1cc(F)c(OC(C)C(=O)NC(N)=O)c(F)c1.
What is the InChIKey of N-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide?
The InChIKey is JIOFCIPVQXPKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O3/c1-3-17-6-8-4-9(14)11(10(15)5-8)21-7(2)12(19)18-13(16)20/h4-5,7,17H,3,6H2,1-2H3,(H3,16,18,19,20).
What are the key properties of N-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide?
N-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide has a molecular weight of 301.29 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide is sourced from PubChem (CID 79882227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).