N-[2-fluoro-4-(3-methylphenyl)phenyl]-2-prop-1-en-2-ylcyclopentene-1-carboxamide

C22H22FNO — CID 138668366

IUPACN-[2-fluoro-4-(3-methylphenyl)phenyl]-2-prop-1-en-2-ylcyclopentene-1-carboxamide
SMILESC=C(C)C1=C(C(=O)Nc2ccc(-c3cccc(C)c3)cc2F)CCC1
InChIInChI=1S/C22H22FNO/c1-14(2)18-8-5-9-19(18)22(25)24-21-11-10-17(13-20(21)23)16-7-4-6-15(3)12-16/h4,6-7,10-13H,1,5,8-9H2,2-3H3,(H,24,25)
InChIKeyUWCVVQACXCQCOG-UHFFFAOYSA-N
MW335.42 g/mol
LogP5.80
Rot. Bonds4

About N-[2-fluoro-4-(3-methylphenyl)phenyl]-2-prop-1-en-2-ylcyclopentene-1-carboxamide

N-[2-fluoro-4-(3-methylphenyl)phenyl]-2-prop-1-en-2-ylcyclopentene-1-carboxamide (PubChem CID 138668366) has the molecular formula C22H22FNO and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[2-fluoro-4-(3-methylphenyl)phenyl]-2-prop-1-en-2-ylcyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(3-methylphenyl)phenyl]-2-prop-1-en-2-ylcyclopentene-1-carboxamide
PubChem CID138668366
Molecular FormulaC22H22FNO
Molecular Weight335.42 g/mol
Exact Mass335.17
IUPAC NameN-[2-fluoro-4-(3-methylphenyl)phenyl]-2-prop-1-en-2-ylcyclopentene-1-carboxamide
SMILESC=C(C)C1=C(C(=O)Nc2ccc(-c3cccc(C)c3)cc2F)CCC1
InChIInChI=1S/C22H22FNO/c1-14(2)18-8-5-9-19(18)22(25)24-21-11-10-17(13-20(21)23)16-7-4-6-15(3)12-16/h4,6-7,10-13H,1,5,8-9H2,2-3H3,(H,24,25)
InChIKeyUWCVVQACXCQCOG-UHFFFAOYSA-N
XLogP5.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.42
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

calcium;bis(2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylate);hydrate
CID 164512938
2-[[2-fluoro-4-(4-methylsulfanylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084761
2-[[2-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084763
[2-[[2-fluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carbonyl] 2-[[2-methoxy-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylate
CID 87662420
2-fluoro-4-(3-methylphenyl)-N-[1-(2-prop-1-en-2-ylcyclopenten-1-yl)ethenyl]cyclohepta-2,4,6-trien-1-amine
CID 138670158
2-[(2-methoxy-4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid
CID 21084767
2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270346
N-(2-fluoro-4-iodophenyl)-3-methylbenzamide
CID 17102075
2,3-difluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 62648850
2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084805
N-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
CID 166166783
2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1,3-dicarboxylic acid
CID 22042535

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(3-methylphenyl)phenyl]-2-prop-1-en-2-ylcyclopentene-1-carboxamide?
The IUPAC name of N-[2-fluoro-4-(3-methylphenyl)phenyl]-2-prop-1-en-2-ylcyclopentene-1-carboxamide (CID 138668366) is N-[2-fluoro-4-(3-methylphenyl)phenyl]-2-prop-1-en-2-ylcyclopentene-1-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-(3-methylphenyl)phenyl]-2-prop-1-en-2-ylcyclopentene-1-carboxamide?
The canonical SMILES for N-[2-fluoro-4-(3-methylphenyl)phenyl]-2-prop-1-en-2-ylcyclopentene-1-carboxamide is C=C(C)C1=C(C(=O)Nc2ccc(-c3cccc(C)c3)cc2F)CCC1.
What is the InChIKey of N-[2-fluoro-4-(3-methylphenyl)phenyl]-2-prop-1-en-2-ylcyclopentene-1-carboxamide?
The InChIKey is UWCVVQACXCQCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO/c1-14(2)18-8-5-9-19(18)22(25)24-21-11-10-17(13-20(21)23)16-7-4-6-15(3)12-16/h4,6-7,10-13H,1,5,8-9H2,2-3H3,(H,24,25).
What are the key properties of N-[2-fluoro-4-(3-methylphenyl)phenyl]-2-prop-1-en-2-ylcyclopentene-1-carboxamide?
N-[2-fluoro-4-(3-methylphenyl)phenyl]-2-prop-1-en-2-ylcyclopentene-1-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(3-methylphenyl)phenyl]-2-prop-1-en-2-ylcyclopentene-1-carboxamide is sourced from PubChem (CID 138668366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).