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

C23H19ClFNO4 — CID 3254737

IUPAC(2-chlorophenyl)methyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate
SMILESCC(Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1)C(=O)OCc1ccccc1Cl
InChIInChI=1S/C23H19ClFNO4/c1-15(23(28)29-14-17-4-2-3-5-21(17)24)30-20-12-6-16(7-13-20)22(27)26-19-10-8-18(25)9-11-19/h2-13,15H,14H2,1H3,(H,26,27)
InChIKeyXFTSHADAIGMNRZ-UHFFFAOYSA-N
MW427.86 g/mol
LogP5.24
Rot. Bonds7

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

(2-chlorophenyl)methyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate (PubChem CID 3254737) has the molecular formula C23H19ClFNO4 and a molecular weight of 427.86 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate
PubChem CID3254737
Molecular FormulaC23H19ClFNO4
Molecular Weight427.86 g/mol
Exact Mass427.10
IUPAC Name(2-chlorophenyl)methyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate
SMILESCC(Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1)C(=O)OCc1ccccc1Cl
InChIInChI=1S/C23H19ClFNO4/c1-15(23(28)29-14-17-4-2-3-5-21(17)24)30-20-12-6-16(7-13-20)22(27)26-19-10-8-18(25)9-11-19/h2-13,15H,14H2,1H3,(H,26,27)
InChIKeyXFTSHADAIGMNRZ-UHFFFAOYSA-N
XLogP5.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.86
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4231696
(2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate
CID 5084761
(2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid
CID 733394
4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 8884358
1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109047321
4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide
CID 3691715
2-methylpropyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
CID 3663940
(2-cyanophenyl)methyl (2R)-2-(4-fluorophenoxy)propanoate
CID 8559387
N-[4-[(2R)-butan-2-yl]phenyl]-4-[(2-chlorophenyl)methoxy]benzamide
CID 8814272
4-[(2-chlorophenyl)methoxy]-N-phenylbenzamide
CID 8813243
methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
CID 3663936

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate?
The IUPAC name of (2-chlorophenyl)methyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate (CID 3254737) is (2-chlorophenyl)methyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate.
What is the SMILES notation for (2-chlorophenyl)methyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate?
The canonical SMILES for (2-chlorophenyl)methyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate is CC(Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1)C(=O)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate?
The InChIKey is XFTSHADAIGMNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFNO4/c1-15(23(28)29-14-17-4-2-3-5-21(17)24)30-20-12-6-16(7-13-20)22(27)26-19-10-8-18(25)9-11-19/h2-13,15H,14H2,1H3,(H,26,27).
What are the key properties of (2-chlorophenyl)methyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate?
(2-chlorophenyl)methyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate has a molecular weight of 427.86 g/mol, XLogP of 5.24, 7 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-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate is sourced from PubChem (CID 3254737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).