4-(2-fluoro-5-methoxyphenyl)but-3-ynamide

C11H10FNO2 — CID 170472901

IUPAC4-(2-fluoro-5-methoxyphenyl)but-3-ynamide
SMILESCOc1ccc(F)c(C#CCC(N)=O)c1
InChIInChI=1S/C11H10FNO2/c1-15-9-5-6-10(12)8(7-9)3-2-4-11(13)14/h5-7H,4H2,1H3,(H2,13,14)
InChIKeyMVHUPCMQUDSCDN-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.06
Rot. Bonds2

About 4-(2-fluoro-5-methoxyphenyl)but-3-ynamide

4-(2-fluoro-5-methoxyphenyl)but-3-ynamide (PubChem CID 170472901) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 4-(2-fluoro-5-methoxyphenyl)but-3-ynamide.

Molecular Properties

Compound Name4-(2-fluoro-5-methoxyphenyl)but-3-ynamide
PubChem CID170472901
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name4-(2-fluoro-5-methoxyphenyl)but-3-ynamide
SMILESCOc1ccc(F)c(C#CCC(N)=O)c1
InChIInChI=1S/C11H10FNO2/c1-15-9-5-6-10(12)8(7-9)3-2-4-11(13)14/h5-7H,4H2,1H3,(H2,13,14)
InChIKeyMVHUPCMQUDSCDN-UHFFFAOYSA-N
XLogP1.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dimethoxyphenyl)but-3-ynamide
CID 170473317
4-(2-fluoro-5-nitrophenyl)but-3-ynamide
CID 170473463
4-(3,5-dimethoxyphenyl)but-3-ynamide
CID 170473319
5-(4-amino-4-oxobut-1-ynyl)-2,4-difluorobenzoic acid
CID 170474174
4-(2,4-dichlorophenyl)but-3-ynamide
CID 170472586
4-(2-formyl-4,5-dimethoxyphenyl)but-3-ynamide
CID 170473909
3-(2-fluoro-4-methoxyphenyl)prop-2-yne-1-thiol
CID 169486401
ethyl 4-(2-chloro-4-methoxyphenyl)but-3-ynoate
CID 170471109
2-[2-(3-hydroxyprop-1-ynyl)-4-methoxyphenyl]acetic acid
CID 169485688
4-[4-fluoro-2-(hydroxymethyl)phenyl]but-3-ynamide
CID 170472913
methyl 4-[2-(hydrazinecarbonyl)-4-methoxyphenyl]but-3-ynoate
CID 170470349
4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide
CID 170474123

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methoxyphenyl)but-3-ynamide?
The IUPAC name of 4-(2-fluoro-5-methoxyphenyl)but-3-ynamide (CID 170472901) is 4-(2-fluoro-5-methoxyphenyl)but-3-ynamide.
What is the SMILES notation for 4-(2-fluoro-5-methoxyphenyl)but-3-ynamide?
The canonical SMILES for 4-(2-fluoro-5-methoxyphenyl)but-3-ynamide is COc1ccc(F)c(C#CCC(N)=O)c1.
What is the InChIKey of 4-(2-fluoro-5-methoxyphenyl)but-3-ynamide?
The InChIKey is MVHUPCMQUDSCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-15-9-5-6-10(12)8(7-9)3-2-4-11(13)14/h5-7H,4H2,1H3,(H2,13,14).
What are the key properties of 4-(2-fluoro-5-methoxyphenyl)but-3-ynamide?
4-(2-fluoro-5-methoxyphenyl)but-3-ynamide has a molecular weight of 207.20 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methoxyphenyl)but-3-ynamide is sourced from PubChem (CID 170472901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).