N-[3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-methylphenyl]cyclopropanecarboxamide

C21H23FN2O3 — CID 87001215

IUPACN-[3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)C(C)(C)Oc1ccc(F)cc1
InChIInChI=1S/C21H23FN2O3/c1-13-4-9-16(23-19(25)14-5-6-14)12-18(13)24-20(26)21(2,3)27-17-10-7-15(22)8-11-17/h4,7-12,14H,5-6H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHXOVHVJMUPGGLR-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.28
Rot. Bonds6

About N-[3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-methylphenyl]cyclopropanecarboxamide

N-[3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-methylphenyl]cyclopropanecarboxamide (PubChem CID 87001215) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
PubChem CID87001215
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC NameN-[3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)C(C)(C)Oc1ccc(F)cc1
InChIInChI=1S/C21H23FN2O3/c1-13-4-9-16(23-19(25)14-5-6-14)12-18(13)24-20(26)21(2,3)27-17-10-7-15(22)8-11-17/h4,7-12,14H,5-6H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHXOVHVJMUPGGLR-UHFFFAOYSA-N
XLogP4.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673576
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide
CID 119321965
N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide
CID 119321946
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55742102
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150694
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 46467347
N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55898202
dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 30855027
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015790
N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide
CID 94692031

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-methylphenyl]cyclopropanecarboxamide (CID 87001215) is N-[3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-methylphenyl]cyclopropanecarboxamide is Cc1ccc(NC(=O)C2CC2)cc1NC(=O)C(C)(C)Oc1ccc(F)cc1.
What is the InChIKey of N-[3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The InChIKey is HXOVHVJMUPGGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-13-4-9-16(23-19(25)14-5-6-14)12-18(13)24-20(26)21(2,3)27-17-10-7-15(22)8-11-17/h4,7-12,14H,5-6H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
N-[3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-methylphenyl]cyclopropanecarboxamide has a molecular weight of 370.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 87001215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).