N-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide

C14H20F2N2O — CID 62852524

IUPACN-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2O/c1-4-17-8-9(2)14(19)18-10(3)12-7-11(15)5-6-13(12)16/h5-7,9-10,17H,4,8H2,1-3H3,(H,18,19)
InChIKeyQNHMOZCUWDCJGN-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.39
Rot. Bonds6

About N-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide

N-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide (PubChem CID 62852524) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
PubChem CID62852524
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2O/c1-4-17-8-9(2)14(19)18-10(3)12-7-11(15)5-6-13(12)16/h5-7,9-10,17H,4,8H2,1-3H3,(H,18,19)
InChIKeyQNHMOZCUWDCJGN-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79195587
3-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide
CID 62851853
2-bromo-N-[1-(2,5-difluorophenyl)ethyl]butanamide
CID 55126066
(2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide
CID 79025345
2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide
CID 43699624
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide
CID 79201225
N-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 81397513
3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 62851825
2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide
CID 114327764
1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115447485
tert-butyl N-[1-(2,5-difluorophenyl)ethyl]carbamate
CID 63787990

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide (CID 62852524) is N-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide is CCNCC(C)C(=O)NC(C)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide?
The InChIKey is QNHMOZCUWDCJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-4-17-8-9(2)14(19)18-10(3)12-7-11(15)5-6-13(12)16/h5-7,9-10,17H,4,8H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide?
N-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide has a molecular weight of 270.32 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62852524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).