methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate

C17H14Cl2N2O5 — CID 17178356

IUPACmethyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H14Cl2N2O5/c1-25-17(24)11-4-2-10(3-5-11)16(23)21-20-15(22)9-26-14-7-6-12(18)8-13(14)19/h2-8H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyABSCANIGOJIHKQ-UHFFFAOYSA-N
MW397.21 g/mol
LogP2.62
Rot. Bonds5

About methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate

methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate (PubChem CID 17178356) has the molecular formula C17H14Cl2N2O5 and a molecular weight of 397.21 g/mol. Its IUPAC name is methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate
PubChem CID17178356
Molecular FormulaC17H14Cl2N2O5
Molecular Weight397.21 g/mol
Exact Mass396.03
IUPAC Namemethyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H14Cl2N2O5/c1-25-17(24)11-4-2-10(3-5-11)16(23)21-20-15(22)9-26-14-7-6-12(18)8-13(14)19/h2-8H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyABSCANIGOJIHKQ-UHFFFAOYSA-N
XLogP2.62
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.21
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 2818575
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide
CID 4938584
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952085
4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide
CID 4936335
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112743
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 3293473
4-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 5182764
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide
CID 4926287
4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
CID 54790834
3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 17355468
methyl 3-chloro-4-[2-(2,5-dichloroanilino)-2-oxoethoxy]benzoate
CID 55321046

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate (CID 17178356) is methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate?
The InChIKey is ABSCANIGOJIHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O5/c1-25-17(24)11-4-2-10(3-5-11)16(23)21-20-15(22)9-26-14-7-6-12(18)8-13(14)19/h2-8H,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate?
methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate has a molecular weight of 397.21 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate is sourced from PubChem (CID 17178356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).