2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate

C20H21Cl2NO4 — CID 4064798

IUPAC2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate
SMILESCC(C)COC(=O)C(C)Oc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C20H21Cl2NO4/c1-12(2)11-26-20(25)13(3)27-16-7-4-14(5-8-16)19(24)23-18-10-15(21)6-9-17(18)22/h4-10,12-13H,11H2,1-3H3,(H,23,24)
InChIKeyLCIDWCJAIOWRIE-UHFFFAOYSA-N
MW410.30 g/mol
LogP5.21
Rot. Bonds7

About 2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate

2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate (PubChem CID 4064798) has the molecular formula C20H21Cl2NO4 and a molecular weight of 410.30 g/mol. Its IUPAC name is 2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate.

Molecular Properties

Compound Name2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate
PubChem CID4064798
Molecular FormulaC20H21Cl2NO4
Molecular Weight410.30 g/mol
Exact Mass409.08
IUPAC Name2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate
SMILESCC(C)COC(=O)C(C)Oc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C20H21Cl2NO4/c1-12(2)11-26-20(25)13(3)27-16-7-4-14(5-8-16)19(24)23-18-10-15(21)6-9-17(18)22/h4-10,12-13H,11H2,1-3H3,(H,23,24)
InChIKeyLCIDWCJAIOWRIE-UHFFFAOYSA-N
XLogP5.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.30
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate
CID 4066862
2-methylpropyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
CID 3663940
N-(2,5-dichlorophenyl)-4-(difluoromethoxy)benzamide
CID 4846901
2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 4245145
(2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604763
methyl 2-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
CID 3428091
N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 4248246
N-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide
CID 774907
2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 5087489
3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide
CID 17351668
N-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 1179514
[4-[(2,5-dichlorophenyl)carbamoyl]phenyl] 4-propan-2-ylbenzoate
CID 2071959

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate?
The IUPAC name of 2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate (CID 4064798) is 2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate.
What is the SMILES notation for 2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate?
The canonical SMILES for 2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate is CC(C)COC(=O)C(C)Oc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate?
The InChIKey is LCIDWCJAIOWRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO4/c1-12(2)11-26-20(25)13(3)27-16-7-4-14(5-8-16)19(24)23-18-10-15(21)6-9-17(18)22/h4-10,12-13H,11H2,1-3H3,(H,23,24).
What are the key properties of 2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate?
2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate has a molecular weight of 410.30 g/mol, XLogP of 5.21, 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-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate is sourced from PubChem (CID 4064798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).