N-[2-(2-ethylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide

C22H25FN2O2 — CID 134022471

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C22H25FN2O2/c1-3-16-8-4-5-11-19(16)24-20(26)15-25(2)21(27)22(12-7-13-22)17-9-6-10-18(23)14-17/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,24,26)
InChIKeyBCJUHHVFAXCAQQ-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.91
Rot. Bonds6

About N-[2-(2-ethylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide

N-[2-(2-ethylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide (PubChem CID 134022471) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide
PubChem CID134022471
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C22H25FN2O2/c1-3-16-8-4-5-11-19(16)24-20(26)15-25(2)21(27)22(12-7-13-22)17-9-6-10-18(23)14-17/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,24,26)
InChIKeyBCJUHHVFAXCAQQ-UHFFFAOYSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-ethynylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 55992203
1-(3-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 55329322
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)cyclopropane-1-carboxamide
CID 55997836
N-(2-ethylphenyl)-2-[[2-(3-fluorophenoxy)acetyl]-methylamino]acetamide
CID 8699564
1-(3-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 55590411
N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 17413852
4-[[1-(3-fluorophenyl)cyclobutanecarbonyl]-methylamino]butanoic acid
CID 119173402
2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N,1-dimethylcyclopropane-1-carboxamide
CID 51163473
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 31971501
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylbenzamide
CID 86982921
2-cyclopentyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 51146982
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 55997965

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide (CID 134022471) is N-[2-(2-ethylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide is CCc1ccccc1NC(=O)CN(C)C(=O)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is BCJUHHVFAXCAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-3-16-8-4-5-11-19(16)24-20(26)15-25(2)21(27)22(12-7-13-22)17-9-6-10-18(23)14-17/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 134022471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).