methyl 2-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate

C18H18ClNO4 — CID 3428091

IUPACmethyl 2-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H18ClNO4/c1-11-10-14(19)6-9-16(11)20-17(21)13-4-7-15(8-5-13)24-12(2)18(22)23-3/h4-10,12H,1-3H3,(H,20,21)
InChIKeyUELDQHHQNAOILA-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.84
Rot. Bonds5

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

methyl 2-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate (PubChem CID 3428091) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is methyl 2-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
PubChem CID3428091
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Namemethyl 2-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H18ClNO4/c1-11-10-14(19)6-9-16(11)20-17(21)13-4-7-15(8-5-13)24-12(2)18(22)23-3/h4-10,12H,1-3H3,(H,20,21)
InChIKeyUELDQHHQNAOILA-UHFFFAOYSA-N
XLogP3.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
CID 3663936
N-(4-chloro-2-methylphenyl)-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
CID 4051387
propan-2-yl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 3712073
(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 973325
(2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid
CID 7137692
methyl 2-[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]propanoate
CID 4231793
propyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 5065242
2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate
CID 4064798
N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53267118
N-(4-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191556
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193277

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate?
The IUPAC name of methyl 2-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate (CID 3428091) is methyl 2-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate.
What is the SMILES notation for methyl 2-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate?
The canonical SMILES for methyl 2-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate is COC(=O)C(C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1.
What is the InChIKey of methyl 2-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate?
The InChIKey is UELDQHHQNAOILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-11-10-14(19)6-9-16(11)20-17(21)13-4-7-15(8-5-13)24-12(2)18(22)23-3/h4-10,12H,1-3H3,(H,20,21).
What are the key properties of methyl 2-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate?
methyl 2-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate has a molecular weight of 347.80 g/mol, XLogP of 3.84, 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-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate is sourced from PubChem (CID 3428091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).