2-chloro-N'-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]ethanimidamide

C14H10Cl3N3O3 — CID 169366838

IUPAC2-chloro-N'-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]ethanimidamide
SMILESN/C(CCl)=N/c1cc(Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H10Cl3N3O3/c15-7-14(18)19-9-4-10(20(21)22)6-11(5-9)23-13-2-1-8(16)3-12(13)17/h1-6H,7H2,(H2,18,19)
InChIKeyGTTQNTNEKMJKBF-UHFFFAOYSA-N
MW374.61 g/mol
LogP4.92
Rot. Bonds5

About 2-chloro-N'-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]ethanimidamide

2-chloro-N'-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]ethanimidamide (PubChem CID 169366838) has the molecular formula C14H10Cl3N3O3 and a molecular weight of 374.61 g/mol. Its IUPAC name is 2-chloro-N'-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]ethanimidamide
PubChem CID169366838
Molecular FormulaC14H10Cl3N3O3
Molecular Weight374.61 g/mol
Exact Mass372.98
IUPAC Name2-chloro-N'-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]ethanimidamide
SMILESN/C(CCl)=N/c1cc(Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H10Cl3N3O3/c15-7-14(18)19-9-4-10(20(21)22)6-11(5-9)23-13-2-1-8(16)3-12(13)17/h1-6H,7H2,(H2,18,19)
InChIKeyGTTQNTNEKMJKBF-UHFFFAOYSA-N
XLogP4.92
TPSA90.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.61
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]ethanimidamide
CID 169367607
1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene
CID 169336525
3-(2,4-dichlorophenoxy)-N-methyl-5-nitroaniline
CID 80869013
2-chloro-N'-(3-fluoro-5-nitrophenyl)ethanimidamide
CID 169366207
3-[(1-amino-2-chloroethylidene)amino]-5-nitrobenzoic acid
CID 169365509
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
1-(diaminomethylidene)-2-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]guanidine
CID 168603863
2-chloro-1-[4-chloro-2-(chloromethyl)phenoxy]-4-nitrobenzene
CID 114847061
N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-4-methylbenzenesulfonamide
CID 169371120
3-[3-[[3-(2,4-dichlorophenoxy)-5-nitrophenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506584
1-(diaminomethylidene)-2-[3-(2-methoxyphenoxy)-5-nitrophenyl]guanidine
CID 168603764
2-chloro-1-(3-fluoro-5-nitrophenoxy)-4-nitrobenzene
CID 80753164

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]ethanimidamide (CID 169366838) is 2-chloro-N'-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]ethanimidamide is N/C(CCl)=N/c1cc(Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-N'-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]ethanimidamide?
The InChIKey is GTTQNTNEKMJKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3O3/c15-7-14(18)19-9-4-10(20(21)22)6-11(5-9)23-13-2-1-8(16)3-12(13)17/h1-6H,7H2,(H2,18,19).
What are the key properties of 2-chloro-N'-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]ethanimidamide?
2-chloro-N'-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]ethanimidamide has a molecular weight of 374.61 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]ethanimidamide is sourced from PubChem (CID 169366838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).