N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-phenylnitramide

C14H11Cl2N3O4 — CID 22311389

IUPACN-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-phenylnitramide
SMILESO=C(COc1ccc(Cl)cc1Cl)NN(c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C14H11Cl2N3O4/c15-10-6-7-13(12(16)8-10)23-9-14(20)17-18(19(21)22)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,20)
InChIKeyPABXNCSDHLEPON-UHFFFAOYSA-N
MW356.17 g/mol
LogP3.10
Rot. Bonds6

About N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-phenylnitramide

N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-phenylnitramide (PubChem CID 22311389) has the molecular formula C14H11Cl2N3O4 and a molecular weight of 356.17 g/mol. Its IUPAC name is N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-phenylnitramide.

Molecular Properties

Compound NameN-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-phenylnitramide
PubChem CID22311389
Molecular FormulaC14H11Cl2N3O4
Molecular Weight356.17 g/mol
Exact Mass355.01
IUPAC NameN-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-phenylnitramide
SMILESO=C(COc1ccc(Cl)cc1Cl)NN(c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C14H11Cl2N3O4/c15-10-6-7-13(12(16)8-10)23-9-14(20)17-18(19(21)22)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,20)
InChIKeyPABXNCSDHLEPON-UHFFFAOYSA-N
XLogP3.10
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-phenylnitramide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium 2-(2,4-dichlorophenoxy)-N-oxidoacetamide
CID 23697377
4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide
CID 2227481
2-(2,4-dichlorophenoxy)-N-(2-nitrophenyl)-N-phenylacetamide
CID 3303269
2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid
CID 166178801
2-(2,4-dichlorophenoxy)-N-pyridin-2-ylacetamide
CID 792334
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-(2,4-dichlorophenoxy)-N-[2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]phenyl]acetamide
CID 2198238
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenoxypropanehydrazide
CID 19168021
(2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 6961899
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17186619
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668024

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-phenylnitramide?
The IUPAC name of N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-phenylnitramide (CID 22311389) is N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-phenylnitramide.
What is the SMILES notation for N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-phenylnitramide?
The canonical SMILES for N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-phenylnitramide is O=C(COc1ccc(Cl)cc1Cl)NN(c1ccccc1)[N+](=O)[O-].
What is the InChIKey of N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-phenylnitramide?
The InChIKey is PABXNCSDHLEPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O4/c15-10-6-7-13(12(16)8-10)23-9-14(20)17-18(19(21)22)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,20).
What are the key properties of N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-phenylnitramide?
N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-phenylnitramide has a molecular weight of 356.17 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-phenylnitramide is sourced from PubChem (CID 22311389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).