N-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide

C12H13F2NO2 — CID 169466749

IUPACN-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide
SMILESCOc1cc(F)c(C=CCNC(C)=O)c(F)c1
InChIInChI=1S/C12H13F2NO2/c1-8(16)15-5-3-4-10-11(13)6-9(17-2)7-12(10)14/h3-4,6-7H,5H2,1-2H3,(H,15,16)
InChIKeyZXLVJEWYBRQELV-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.12
Rot. Bonds4

About N-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide

N-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide (PubChem CID 169466749) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is N-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide
PubChem CID169466749
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC NameN-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide
SMILESCOc1cc(F)c(C=CCNC(C)=O)c(F)c1
InChIInChI=1S/C12H13F2NO2/c1-8(16)15-5-3-4-10-11(13)6-9(17-2)7-12(10)14/h3-4,6-7H,5H2,1-2H3,(H,15,16)
InChIKeyZXLVJEWYBRQELV-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]acetamide
CID 169465940
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
(E)-3-(2,6-difluoro-4-methoxyphenyl)prop-2-enoic acid
CID 23143267
4-(3-acetamidoprop-1-enyl)-2,5-difluorobenzoic acid
CID 169466002
N-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide
CID 169465711
N-[3-(2,4,6-trihydroxyphenyl)prop-2-enyl]acetamide
CID 169466663
N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide
CID 169465509
N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide
CID 169465270
N-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide
CID 169465531
ethyl 3-(2,6-difluoro-4-methoxyphenyl)prop-2-enoate
CID 76571776
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994
N-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide
CID 169466328

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide (CID 169466749) is N-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide is COc1cc(F)c(C=CCNC(C)=O)c(F)c1.
What is the InChIKey of N-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide?
The InChIKey is ZXLVJEWYBRQELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-8(16)15-5-3-4-10-11(13)6-9(17-2)7-12(10)14/h3-4,6-7H,5H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide?
N-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide has a molecular weight of 241.24 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).