N-(2-acetamidoethyl)-2-[2-(3,4-difluorophenyl)propan-2-ylamino]acetamide

C15H21F2N3O2 — CID 146086928

IUPACN-(2-acetamidoethyl)-2-[2-(3,4-difluorophenyl)propan-2-ylamino]acetamide
SMILESCC(=O)NCCNC(=O)CNC(C)(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2N3O2/c1-10(21)18-6-7-19-14(22)9-20-15(2,3)11-4-5-12(16)13(17)8-11/h4-5,8,20H,6-7,9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyZGLMHHAIAVAYTJ-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.04
Rot. Bonds7

About N-(2-acetamidoethyl)-2-[2-(3,4-difluorophenyl)propan-2-ylamino]acetamide

N-(2-acetamidoethyl)-2-[2-(3,4-difluorophenyl)propan-2-ylamino]acetamide (PubChem CID 146086928) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[2-(3,4-difluorophenyl)propan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[2-(3,4-difluorophenyl)propan-2-ylamino]acetamide
PubChem CID146086928
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC NameN-(2-acetamidoethyl)-2-[2-(3,4-difluorophenyl)propan-2-ylamino]acetamide
SMILESCC(=O)NCCNC(=O)CNC(C)(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2N3O2/c1-10(21)18-6-7-19-14(22)9-20-15(2,3)11-4-5-12(16)13(17)8-11/h4-5,8,20H,6-7,9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyZGLMHHAIAVAYTJ-UHFFFAOYSA-N
XLogP1.04
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 78811528
4-amino-N-[2-(3,4-difluorophenyl)propan-2-yl]butanamide
CID 119338113
N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176125
N-[1-(3,4-difluorophenyl)-1-methylsulfonylethyl]acetamide
CID 144654377
2-(cyclopropylmethylamino)-N-[2-(3,4-difluorophenyl)propan-2-yl]acetamide
CID 119809188
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
N-[2-(3,4-difluorophenyl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119809191
3-(3,4-difluorophenyl)-3-(propylamino)butanamide
CID 65235585
2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 47839633
N-[2-(3-tert-butylanilino)ethyl]acetamide
CID 59090695
2-(3,4-difluorophenyl)-2-hydroxypropanoic acid
CID 61237250
N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide
CID 115141139

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[2-(3,4-difluorophenyl)propan-2-ylamino]acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[2-(3,4-difluorophenyl)propan-2-ylamino]acetamide (CID 146086928) is N-(2-acetamidoethyl)-2-[2-(3,4-difluorophenyl)propan-2-ylamino]acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[2-(3,4-difluorophenyl)propan-2-ylamino]acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[2-(3,4-difluorophenyl)propan-2-ylamino]acetamide is CC(=O)NCCNC(=O)CNC(C)(C)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2-acetamidoethyl)-2-[2-(3,4-difluorophenyl)propan-2-ylamino]acetamide?
The InChIKey is ZGLMHHAIAVAYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c1-10(21)18-6-7-19-14(22)9-20-15(2,3)11-4-5-12(16)13(17)8-11/h4-5,8,20H,6-7,9H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-(2-acetamidoethyl)-2-[2-(3,4-difluorophenyl)propan-2-ylamino]acetamide?
N-(2-acetamidoethyl)-2-[2-(3,4-difluorophenyl)propan-2-ylamino]acetamide has a molecular weight of 313.35 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[2-(3,4-difluorophenyl)propan-2-ylamino]acetamide is sourced from PubChem (CID 146086928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).