(2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate

C25H24ClNO4 — CID 4231696

IUPAC(2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
SMILESCCc1ccccc1NC(=O)c1ccc(OC(C)C(=O)OCc2ccccc2Cl)cc1
InChIInChI=1S/C25H24ClNO4/c1-3-18-8-5-7-11-23(18)27-24(28)19-12-14-21(15-13-19)31-17(2)25(29)30-16-20-9-4-6-10-22(20)26/h4-15,17H,3,16H2,1-2H3,(H,27,28)
InChIKeyFWLIFHILOLRTHV-UHFFFAOYSA-N
MW437.92 g/mol
LogP5.67
Rot. Bonds8

About (2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate

(2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate (PubChem CID 4231696) has the molecular formula C25H24ClNO4 and a molecular weight of 437.92 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
PubChem CID4231696
Molecular FormulaC25H24ClNO4
Molecular Weight437.92 g/mol
Exact Mass437.14
IUPAC Name(2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
SMILESCCc1ccccc1NC(=O)c1ccc(OC(C)C(=O)OCc2ccccc2Cl)cc1
InChIInChI=1S/C25H24ClNO4/c1-3-18-8-5-7-11-23(18)27-24(28)19-12-14-21(15-13-19)31-17(2)25(29)30-16-20-9-4-6-10-22(20)26/h4-15,17H,3,16H2,1-2H3,(H,27,28)
InChIKeyFWLIFHILOLRTHV-UHFFFAOYSA-N
XLogP5.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.92
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate
CID 5084761
butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4229096
(2-chlorophenyl)methyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate
CID 3254737
pentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4229182
N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 2968671
butyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
CID 5076941
4-butan-2-yloxy-N-(2-chlorophenyl)benzamide
CID 17141187
benzyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate
CID 4066862
ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
CID 3543069
benzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate
CID 3410170
ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 731943
2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid
CID 12771080

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate?
The IUPAC name of (2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate (CID 4231696) is (2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate.
What is the SMILES notation for (2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate?
The canonical SMILES for (2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate is CCc1ccccc1NC(=O)c1ccc(OC(C)C(=O)OCc2ccccc2Cl)cc1.
What is the InChIKey of (2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate?
The InChIKey is FWLIFHILOLRTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClNO4/c1-3-18-8-5-7-11-23(18)27-24(28)19-12-14-21(15-13-19)31-17(2)25(29)30-16-20-9-4-6-10-22(20)26/h4-15,17H,3,16H2,1-2H3,(H,27,28).
What are the key properties of (2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate?
(2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate has a molecular weight of 437.92 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate is sourced from PubChem (CID 4231696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).