[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate

C27H25FN2O4 — CID 55477305

IUPAC[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)C2CC2c2ccc(F)cc2)cc1
InChIInChI=1S/C27H25FN2O4/c1-17-6-8-18(9-7-17)15-29-26(32)21-4-2-3-5-24(21)30-25(31)16-34-27(33)23-14-22(23)19-10-12-20(28)13-11-19/h2-13,22-23H,14-16H2,1H3,(H,29,32)(H,30,31)
InChIKeyFWFBQNHSIIEGFQ-UHFFFAOYSA-N
MW460.51 g/mol
LogP4.35
Rot. Bonds8

About [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate

[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate (PubChem CID 55477305) has the molecular formula C27H25FN2O4 and a molecular weight of 460.51 g/mol. Its IUPAC name is [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate
PubChem CID55477305
Molecular FormulaC27H25FN2O4
Molecular Weight460.51 g/mol
Exact Mass460.18
IUPAC Name[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)C2CC2c2ccc(F)cc2)cc1
InChIInChI=1S/C27H25FN2O4/c1-17-6-8-18(9-7-17)15-29-26(32)21-4-2-3-5-24(21)30-25(31)16-34-27(33)23-14-22(23)19-10-12-20(28)13-11-19/h2-13,22-23H,14-16H2,1H3,(H,29,32)(H,30,31)
InChIKeyFWFBQNHSIIEGFQ-UHFFFAOYSA-N
XLogP4.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-fluorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55327835
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720
2-[[2-(3-methoxyphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 112787422
trans-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8020791
[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 46511969
[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate
CID 9015181
2-[[2-(3-carbamoylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55910870
N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide
CID 55668082
trans-[2-(2-acetylanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 7777163
[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 29201446
[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate
CID 27749348
N-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119679399

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate (CID 55477305) is [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate is Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)C2CC2c2ccc(F)cc2)cc1.
What is the InChIKey of [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate?
The InChIKey is FWFBQNHSIIEGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O4/c1-17-6-8-18(9-7-17)15-29-26(32)21-4-2-3-5-24(21)30-25(31)16-34-27(33)23-14-22(23)19-10-12-20(28)13-11-19/h2-13,22-23H,14-16H2,1H3,(H,29,32)(H,30,31).
What are the key properties of [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate?
[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate has a molecular weight of 460.51 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 55477305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).