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

C17H16ClNO4 — CID 3663936

IUPACmethyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO4/c1-11(17(21)22-2)23-15-9-3-12(4-10-15)16(20)19-14-7-5-13(18)6-8-14/h3-11H,1-2H3,(H,19,20)
InChIKeyZZXFAFXIMBCGGB-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.53
Rot. Bonds5

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

methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate (PubChem CID 3663936) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
PubChem CID3663936
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Namemethyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO4/c1-11(17(21)22-2)23-15-9-3-12(4-10-15)16(20)19-14-7-5-13(18)6-8-14/h3-11H,1-2H3,(H,19,20)
InChIKeyZZXFAFXIMBCGGB-UHFFFAOYSA-N
XLogP3.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
CID 3663940
methyl 2-[4-(4-chloroanilino)phenoxy]propanoate
CID 13083957
4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645145
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(3,5-dimethylphenoxy)propanoate
CID 53266246
methyl 2-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
CID 3428091
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278
propan-2-yl 2-[4-[(4-methylphenyl)carbamoyl]phenoxy]propanoate
CID 4252995
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate
CID 53265852
2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 5087489
4-[2-(4-methoxyphenoxy)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55504736
1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea
CID 134113078
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate?
The IUPAC name of methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate (CID 3663936) is methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate.
What is the SMILES notation for methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate?
The canonical SMILES for methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate is COC(=O)C(C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate?
The InChIKey is ZZXFAFXIMBCGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-11(17(21)22-2)23-15-9-3-12(4-10-15)16(20)19-14-7-5-13(18)6-8-14/h3-11H,1-2H3,(H,19,20).
What are the key properties of methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate?
methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate has a molecular weight of 333.77 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate is sourced from PubChem (CID 3663936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).