N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide

C15H22F2N2O — CID 62837413

IUPACN-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)NC(C)Cc1c(F)cccc1F
InChIInChI=1S/C15H22F2N2O/c1-4-18-10(2)9-15(20)19-11(3)8-12-13(16)6-5-7-14(12)17/h5-7,10-11,18H,4,8-9H2,1-3H3,(H,19,20)
InChIKeyRIUFNZJHSWPKSU-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.40
Rot. Bonds7

About N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide

N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide (PubChem CID 62837413) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide
PubChem CID62837413
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC NameN-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)NC(C)Cc1c(F)cccc1F
InChIInChI=1S/C15H22F2N2O/c1-4-18-10(2)9-15(20)19-11(3)8-12-13(16)6-5-7-14(12)17/h5-7,10-11,18H,4,8-9H2,1-3H3,(H,19,20)
InChIKeyRIUFNZJHSWPKSU-UHFFFAOYSA-N
XLogP2.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
(2S,3S)-2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122100183
2-(azetidin-3-yl)-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide
CID 64618985
3-(ethylamino)-N-[1-(3-fluorophenyl)ethyl]butanamide
CID 55121061
3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366317
N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide
CID 60932780
2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide
CID 114328026
2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56815209
(2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012346
N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide
CID 61027207
3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 62831629
N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 60541693

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide (CID 62837413) is N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide is CCNC(C)CC(=O)NC(C)Cc1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide?
The InChIKey is RIUFNZJHSWPKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-4-18-10(2)9-15(20)19-11(3)8-12-13(16)6-5-7-14(12)17/h5-7,10-11,18H,4,8-9H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide?
N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide has a molecular weight of 284.35 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide is sourced from PubChem (CID 62837413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).