2-(2,4-dichlorophenoxy)ethyl 3-(carbamoylamino)benzoate

C16H14Cl2N2O4 — CID 8803795

IUPAC2-(2,4-dichlorophenoxy)ethyl 3-(carbamoylamino)benzoate
SMILESNC(=O)Nc1cccc(C(=O)OCCOc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O4/c17-11-4-5-14(13(18)9-11)23-6-7-24-15(21)10-2-1-3-12(8-10)20-16(19)22/h1-5,8-9H,6-7H2,(H3,19,20,22)
InChIKeyLVDGKBHVAWUCSV-UHFFFAOYSA-N
MW369.20 g/mol
LogP3.72
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)ethyl 3-(carbamoylamino)benzoate

2-(2,4-dichlorophenoxy)ethyl 3-(carbamoylamino)benzoate (PubChem CID 8803795) has the molecular formula C16H14Cl2N2O4 and a molecular weight of 369.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)ethyl 3-(carbamoylamino)benzoate.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)ethyl 3-(carbamoylamino)benzoate
PubChem CID8803795
Molecular FormulaC16H14Cl2N2O4
Molecular Weight369.20 g/mol
Exact Mass368.03
IUPAC Name2-(2,4-dichlorophenoxy)ethyl 3-(carbamoylamino)benzoate
SMILESNC(=O)Nc1cccc(C(=O)OCCOc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O4/c17-11-4-5-14(13(18)9-11)23-6-7-24-15(21)10-2-1-3-12(8-10)20-16(19)22/h1-5,8-9H,6-7H2,(H3,19,20,22)
InChIKeyLVDGKBHVAWUCSV-UHFFFAOYSA-N
XLogP3.72
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]benzoate
CID 19188469
3-[(2,4-dichlorophenoxy)methylcarbamoylamino]benzoic acid
CID 108880826
2-phenoxyethyl 3-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate
CID 17161809
2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate
CID 2244784
methyl 3-(carbamoylamino)benzoate
CID 2822841
4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 601178
ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 769408
3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide
CID 9297573
4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide
CID 17188242
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
CID 25431218
2-(2,4-dichlorophenoxy)ethyl 3-(phenylcarbamoylamino)propanoate
CID 7805347
ethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate
CID 3759003

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)ethyl 3-(carbamoylamino)benzoate?
The IUPAC name of 2-(2,4-dichlorophenoxy)ethyl 3-(carbamoylamino)benzoate (CID 8803795) is 2-(2,4-dichlorophenoxy)ethyl 3-(carbamoylamino)benzoate.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)ethyl 3-(carbamoylamino)benzoate?
The canonical SMILES for 2-(2,4-dichlorophenoxy)ethyl 3-(carbamoylamino)benzoate is NC(=O)Nc1cccc(C(=O)OCCOc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)ethyl 3-(carbamoylamino)benzoate?
The InChIKey is LVDGKBHVAWUCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O4/c17-11-4-5-14(13(18)9-11)23-6-7-24-15(21)10-2-1-3-12(8-10)20-16(19)22/h1-5,8-9H,6-7H2,(H3,19,20,22).
What are the key properties of 2-(2,4-dichlorophenoxy)ethyl 3-(carbamoylamino)benzoate?
2-(2,4-dichlorophenoxy)ethyl 3-(carbamoylamino)benzoate has a molecular weight of 369.20 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)ethyl 3-(carbamoylamino)benzoate is sourced from PubChem (CID 8803795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).