1,2-difluoro-3-[(E)-prop-1-enyl]benzene;N-[1-(7-methoxynaphthalen-2-yl)ethyl]acetamide

C24H25F2NO2 — CID 142902018

IUPAC1,2-difluoro-3-[(E)-prop-1-enyl]benzene;N-[1-(7-methoxynaphthalen-2-yl)ethyl]acetamide
SMILESC/C=C/c1cccc(F)c1F.COc1ccc2ccc(C(C)NC(C)=O)cc2c1
InChIInChI=1S/C15H17NO2.C9H8F2/c1-10(16-11(2)17)13-5-4-12-6-7-15(18-3)9-14(12)8-13;1-2-4-7-5-3-6-8(10)9(7)11/h4-10H,1-3H3,(H,16,17);2-6H,1H3/b;4-2+
InChIKeyUKWKCMZFRBUFBS-QGLCECKVSA-N
MW397.47 g/mol
LogP6.04
Rot. Bonds4

About 1,2-difluoro-3-[(E)-prop-1-enyl]benzene;N-[1-(7-methoxynaphthalen-2-yl)ethyl]acetamide

1,2-difluoro-3-[(E)-prop-1-enyl]benzene;N-[1-(7-methoxynaphthalen-2-yl)ethyl]acetamide (PubChem CID 142902018) has the molecular formula C24H25F2NO2 and a molecular weight of 397.47 g/mol. Its IUPAC name is 1,2-difluoro-3-[(E)-prop-1-enyl]benzene;N-[1-(7-methoxynaphthalen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name1,2-difluoro-3-[(E)-prop-1-enyl]benzene;N-[1-(7-methoxynaphthalen-2-yl)ethyl]acetamide
PubChem CID142902018
Molecular FormulaC24H25F2NO2
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name1,2-difluoro-3-[(E)-prop-1-enyl]benzene;N-[1-(7-methoxynaphthalen-2-yl)ethyl]acetamide
SMILESC/C=C/c1cccc(F)c1F.COc1ccc2ccc(C(C)NC(C)=O)cc2c1
InChIInChI=1S/C15H17NO2.C9H8F2/c1-10(16-11(2)17)13-5-4-12-6-7-15(18-3)9-14(12)8-13;1-2-4-7-5-3-6-8(10)9(7)11/h4-10H,1-3H3,(H,16,17);2-6H,1H3/b;4-2+
InChIKeyUKWKCMZFRBUFBS-QGLCECKVSA-N
XLogP6.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68761728
(E)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pent-3-enamide
CID 56754976
2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 62865993
(2S)-N-(2,6-difluorophenyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 8949411
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744
(2S)-N-[1-(2-fluorophenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 24545440
(E)-3-(2,4-dimethoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 20744202
N-[1-(6-bromonaphthalen-2-yl)ethyl]acetamide
CID 68760589
N-[1-[6-(3-ethoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68759728
2-(4-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 974464
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 92674006
(2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 93486457

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-[(E)-prop-1-enyl]benzene;N-[1-(7-methoxynaphthalen-2-yl)ethyl]acetamide?
The IUPAC name of 1,2-difluoro-3-[(E)-prop-1-enyl]benzene;N-[1-(7-methoxynaphthalen-2-yl)ethyl]acetamide (CID 142902018) is 1,2-difluoro-3-[(E)-prop-1-enyl]benzene;N-[1-(7-methoxynaphthalen-2-yl)ethyl]acetamide.
What is the SMILES notation for 1,2-difluoro-3-[(E)-prop-1-enyl]benzene;N-[1-(7-methoxynaphthalen-2-yl)ethyl]acetamide?
The canonical SMILES for 1,2-difluoro-3-[(E)-prop-1-enyl]benzene;N-[1-(7-methoxynaphthalen-2-yl)ethyl]acetamide is C/C=C/c1cccc(F)c1F.COc1ccc2ccc(C(C)NC(C)=O)cc2c1.
What is the InChIKey of 1,2-difluoro-3-[(E)-prop-1-enyl]benzene;N-[1-(7-methoxynaphthalen-2-yl)ethyl]acetamide?
The InChIKey is UKWKCMZFRBUFBS-QGLCECKVSA-N. The full InChI is InChI=1S/C15H17NO2.C9H8F2/c1-10(16-11(2)17)13-5-4-12-6-7-15(18-3)9-14(12)8-13;1-2-4-7-5-3-6-8(10)9(7)11/h4-10H,1-3H3,(H,16,17);2-6H,1H3/b;4-2+.
What are the key properties of 1,2-difluoro-3-[(E)-prop-1-enyl]benzene;N-[1-(7-methoxynaphthalen-2-yl)ethyl]acetamide?
1,2-difluoro-3-[(E)-prop-1-enyl]benzene;N-[1-(7-methoxynaphthalen-2-yl)ethyl]acetamide has a molecular weight of 397.47 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-[(E)-prop-1-enyl]benzene;N-[1-(7-methoxynaphthalen-2-yl)ethyl]acetamide is sourced from PubChem (CID 142902018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).