2-amino-5-[(2-chloroacetyl)amino]-3,6-dimethoxy-1-N,4-N-dimethylbenzene-1,4-dicarboxamide

C14H19ClN4O5 — CID 10338480

IUPAC2-amino-5-[(2-chloroacetyl)amino]-3,6-dimethoxy-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
SMILESCNC(=O)c1c(N)c(OC)c(C(=O)NC)c(NC(=O)CCl)c1OC
InChIInChI=1S/C14H19ClN4O5/c1-17-13(21)7-9(16)11(23-3)8(14(22)18-2)10(12(7)24-4)19-6(20)5-15/h5,16H2,1-4H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyWJQFAPMDLDLOMI-UHFFFAOYSA-N
MW358.78 g/mol
LogP0.18
Rot. Bonds6

About 2-amino-5-[(2-chloroacetyl)amino]-3,6-dimethoxy-1-N,4-N-dimethylbenzene-1,4-dicarboxamide

2-amino-5-[(2-chloroacetyl)amino]-3,6-dimethoxy-1-N,4-N-dimethylbenzene-1,4-dicarboxamide (PubChem CID 10338480) has the molecular formula C14H19ClN4O5 and a molecular weight of 358.78 g/mol. Its IUPAC name is 2-amino-5-[(2-chloroacetyl)amino]-3,6-dimethoxy-1-N,4-N-dimethylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-amino-5-[(2-chloroacetyl)amino]-3,6-dimethoxy-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
PubChem CID10338480
Molecular FormulaC14H19ClN4O5
Molecular Weight358.78 g/mol
Exact Mass358.10
IUPAC Name2-amino-5-[(2-chloroacetyl)amino]-3,6-dimethoxy-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
SMILESCNC(=O)c1c(N)c(OC)c(C(=O)NC)c(NC(=O)CCl)c1OC
InChIInChI=1S/C14H19ClN4O5/c1-17-13(21)7-9(16)11(23-3)8(14(22)18-2)10(12(7)24-4)19-6(20)5-15/h5,16H2,1-4H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyWJQFAPMDLDLOMI-UHFFFAOYSA-N
XLogP0.18
TPSA131.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2-chloroacetyl)amino]-3,6-dimethoxy-1-N,4-N-dimethylbenzene-1,4-dicarboxamide?
The IUPAC name of 2-amino-5-[(2-chloroacetyl)amino]-3,6-dimethoxy-1-N,4-N-dimethylbenzene-1,4-dicarboxamide (CID 10338480) is 2-amino-5-[(2-chloroacetyl)amino]-3,6-dimethoxy-1-N,4-N-dimethylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 2-amino-5-[(2-chloroacetyl)amino]-3,6-dimethoxy-1-N,4-N-dimethylbenzene-1,4-dicarboxamide?
The canonical SMILES for 2-amino-5-[(2-chloroacetyl)amino]-3,6-dimethoxy-1-N,4-N-dimethylbenzene-1,4-dicarboxamide is CNC(=O)c1c(N)c(OC)c(C(=O)NC)c(NC(=O)CCl)c1OC.
What is the InChIKey of 2-amino-5-[(2-chloroacetyl)amino]-3,6-dimethoxy-1-N,4-N-dimethylbenzene-1,4-dicarboxamide?
The InChIKey is WJQFAPMDLDLOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O5/c1-17-13(21)7-9(16)11(23-3)8(14(22)18-2)10(12(7)24-4)19-6(20)5-15/h5,16H2,1-4H3,(H,17,21)(H,18,22)(H,19,20).
What are the key properties of 2-amino-5-[(2-chloroacetyl)amino]-3,6-dimethoxy-1-N,4-N-dimethylbenzene-1,4-dicarboxamide?
2-amino-5-[(2-chloroacetyl)amino]-3,6-dimethoxy-1-N,4-N-dimethylbenzene-1,4-dicarboxamide has a molecular weight of 358.78 g/mol, XLogP of 0.18, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2-chloroacetyl)amino]-3,6-dimethoxy-1-N,4-N-dimethylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 10338480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).