N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide

C12H13F2NO — CID 60932780

IUPACN-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)Cc1c(F)cccc1F
InChIInChI=1S/C12H13F2NO/c1-3-12(16)15-8(2)7-9-10(13)5-4-6-11(9)14/h3-6,8H,1,7H2,2H3,(H,15,16)
InChIKeyZLCKYHNLGMTHPK-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.20
Rot. Bonds4

About N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide

N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide (PubChem CID 60932780) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide
PubChem CID60932780
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC NameN-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)Cc1c(F)cccc1F
InChIInChI=1S/C12H13F2NO/c1-3-12(16)15-8(2)7-9-10(13)5-4-6-11(9)14/h3-6,8H,1,7H2,2H3,(H,15,16)
InChIKeyZLCKYHNLGMTHPK-UHFFFAOYSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide
CID 114328026
(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
N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide
CID 62837413
N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 60541693
N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63038597
1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 81486715
2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide
CID 81083554
2-(azetidin-3-yl)-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide
CID 64618985
3-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]thiophene-2-carboxamide
CID 61103749
2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56815209

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide (CID 60932780) is N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide is C=CC(=O)NC(C)Cc1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide?
The InChIKey is ZLCKYHNLGMTHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-3-12(16)15-8(2)7-9-10(13)5-4-6-11(9)14/h3-6,8H,1,7H2,2H3,(H,15,16).
What are the key properties of N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide?
N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide has a molecular weight of 225.24 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide is sourced from PubChem (CID 60932780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).