N-[3-(2-fluoro-5-methoxyphenyl)prop-2-enyl]-2-methylpropanamide

C14H18FNO2 — CID 54485824

IUPACN-[3-(2-fluoro-5-methoxyphenyl)prop-2-enyl]-2-methylpropanamide
SMILESCOc1ccc(F)c(C=CCNC(=O)C(C)C)c1
InChIInChI=1S/C14H18FNO2/c1-10(2)14(17)16-8-4-5-11-9-12(18-3)6-7-13(11)15/h4-7,9-10H,8H2,1-3H3,(H,16,17)
InChIKeyXSFUBGBUYMVLRL-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.62
Rot. Bonds5

About N-[3-(2-fluoro-5-methoxyphenyl)prop-2-enyl]-2-methylpropanamide

N-[3-(2-fluoro-5-methoxyphenyl)prop-2-enyl]-2-methylpropanamide (PubChem CID 54485824) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-[3-(2-fluoro-5-methoxyphenyl)prop-2-enyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(2-fluoro-5-methoxyphenyl)prop-2-enyl]-2-methylpropanamide
PubChem CID54485824
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-[3-(2-fluoro-5-methoxyphenyl)prop-2-enyl]-2-methylpropanamide
SMILESCOc1ccc(F)c(C=CCNC(=O)C(C)C)c1
InChIInChI=1S/C14H18FNO2/c1-10(2)14(17)16-8-4-5-11-9-12(18-3)6-7-13(11)15/h4-7,9-10H,8H2,1-3H3,(H,16,17)
InChIKeyXSFUBGBUYMVLRL-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloroprop-1-enyl)-1-fluoro-4-methoxybenzene
CID 169477196
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994
N-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide
CID 169465711
2-[4-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]acetic acid
CID 169468368
N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide
CID 169465750
5-methoxy-2-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169474148
N-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide
CID 169466749
tert-butyl N-[3-(5-bromo-2-fluorophenyl)prop-2-enyl]carbamate
CID 169468547
1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one
CID 83388472
1-(2-fluoro-5-methoxyphenyl)-3-methylbutan-1-one
CID 83988101
tert-butyl N-[3-(4-chloro-2-fluorophenyl)prop-2-enyl]carbamate
CID 169467051
(E)-4-[2-fluoro-5-[(2S)-1-(methylamino)propan-2-yl]oxyphenyl]but-3-en-2-one
CID 126672000

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoro-5-methoxyphenyl)prop-2-enyl]-2-methylpropanamide?
The IUPAC name of N-[3-(2-fluoro-5-methoxyphenyl)prop-2-enyl]-2-methylpropanamide (CID 54485824) is N-[3-(2-fluoro-5-methoxyphenyl)prop-2-enyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(2-fluoro-5-methoxyphenyl)prop-2-enyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(2-fluoro-5-methoxyphenyl)prop-2-enyl]-2-methylpropanamide is COc1ccc(F)c(C=CCNC(=O)C(C)C)c1.
What is the InChIKey of N-[3-(2-fluoro-5-methoxyphenyl)prop-2-enyl]-2-methylpropanamide?
The InChIKey is XSFUBGBUYMVLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10(2)14(17)16-8-4-5-11-9-12(18-3)6-7-13(11)15/h4-7,9-10H,8H2,1-3H3,(H,16,17).
What are the key properties of N-[3-(2-fluoro-5-methoxyphenyl)prop-2-enyl]-2-methylpropanamide?
N-[3-(2-fluoro-5-methoxyphenyl)prop-2-enyl]-2-methylpropanamide has a molecular weight of 251.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoro-5-methoxyphenyl)prop-2-enyl]-2-methylpropanamide is sourced from PubChem (CID 54485824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).