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

C20H22ClNO4 — CID 3663940

IUPAC2-methylpropyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
SMILESCC(C)COC(=O)C(C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H22ClNO4/c1-13(2)12-25-20(24)14(3)26-18-10-4-15(5-11-18)19(23)22-17-8-6-16(21)7-9-17/h4-11,13-14H,12H2,1-3H3,(H,22,23)
InChIKeySKNPBSPAGJRRNL-UHFFFAOYSA-N
MW375.85 g/mol
LogP4.56
Rot. Bonds7

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

2-methylpropyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate (PubChem CID 3663940) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is 2-methylpropyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate.

Molecular Properties

Compound Name2-methylpropyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
PubChem CID3663940
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name2-methylpropyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
SMILESCC(C)COC(=O)C(C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H22ClNO4/c1-13(2)12-25-20(24)14(3)26-18-10-4-15(5-11-18)19(23)22-17-8-6-16(21)7-9-17/h4-11,13-14H,12H2,1-3H3,(H,22,23)
InChIKeySKNPBSPAGJRRNL-UHFFFAOYSA-N
XLogP4.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 5087489
methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
CID 3663936
2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate
CID 4064798
2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 4245145
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(3,5-dimethylphenoxy)propanoate
CID 53266246
4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645145
2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 4940648
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8868039
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate
CID 53265852
2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 732519
propan-2-yl 2-[4-[(4-methylphenyl)carbamoyl]phenoxy]propanoate
CID 4252995

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate?
The IUPAC name of 2-methylpropyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate (CID 3663940) is 2-methylpropyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate.
What is the SMILES notation for 2-methylpropyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate?
The canonical SMILES for 2-methylpropyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate is CC(C)COC(=O)C(C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-methylpropyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate?
The InChIKey is SKNPBSPAGJRRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-13(2)12-25-20(24)14(3)26-18-10-4-15(5-11-18)19(23)22-17-8-6-16(21)7-9-17/h4-11,13-14H,12H2,1-3H3,(H,22,23).
What are the key properties of 2-methylpropyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate?
2-methylpropyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate has a molecular weight of 375.85 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate is sourced from PubChem (CID 3663940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).