N'-(4-anilino-3-nitrophenyl)-2-chloroethanimidamide

C14H13ClN4O2 — CID 169365206

IUPACN'-(4-anilino-3-nitrophenyl)-2-chloroethanimidamide
SMILESN/C(CCl)=N/c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13ClN4O2/c15-9-14(16)18-11-6-7-12(13(8-11)19(20)21)17-10-4-2-1-3-5-10/h1-8,17H,9H2,(H2,16,18)
InChIKeyOUZRHCQTWWZAIV-UHFFFAOYSA-N
MW304.74 g/mol
LogP3.57
Rot. Bonds5

About N'-(4-anilino-3-nitrophenyl)-2-chloroethanimidamide

N'-(4-anilino-3-nitrophenyl)-2-chloroethanimidamide (PubChem CID 169365206) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is N'-(4-anilino-3-nitrophenyl)-2-chloroethanimidamide.

Molecular Properties

Compound NameN'-(4-anilino-3-nitrophenyl)-2-chloroethanimidamide
PubChem CID169365206
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC NameN'-(4-anilino-3-nitrophenyl)-2-chloroethanimidamide
SMILESN/C(CCl)=N/c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13ClN4O2/c15-9-14(16)18-11-6-7-12(13(8-11)19(20)21)17-10-4-2-1-3-5-10/h1-8,17H,9H2,(H2,16,18)
InChIKeyOUZRHCQTWWZAIV-UHFFFAOYSA-N
XLogP3.57
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 53.57
H-Bond Donors ≤ 52
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

4-[(1-amino-2-chloroethylidene)amino]-2-nitrobenzoic acid
CID 169365408
4-anilino-3-nitrobenzoic acid
CID 3824366
4,5-dichloro-2-nitro-N-phenylaniline
CID 12930158
5-chloro-2,4-dinitro-N-phenylaniline
CID 22749530
carbon dioxide;4-methyl-2-nitro-N-phenylaniline
CID 91236628
4-anilino-N-methyl-3-nitrobenzamide
CID 47122651
4-anilino-N-ethoxy-3-nitrobenzamide
CID 18169038
N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-4-anilino-3-nitrobenzamide
CID 86934684
3-[(1-amino-2-chloroethylidene)amino]-4-nitrobenzamide
CID 169368533
5-chloro-4-methyl-2-nitro-N-phenylaniline
CID 67032404
2-chloro-N'-(5-nitronaphthalen-1-yl)ethanimidamide
CID 169367967
5-chloro-4-methylsulfonyl-2-nitro-N-phenylaniline
CID 173210014

Frequently Asked Questions

What is the IUPAC name of N'-(4-anilino-3-nitrophenyl)-2-chloroethanimidamide?
The IUPAC name of N'-(4-anilino-3-nitrophenyl)-2-chloroethanimidamide (CID 169365206) is N'-(4-anilino-3-nitrophenyl)-2-chloroethanimidamide.
What is the SMILES notation for N'-(4-anilino-3-nitrophenyl)-2-chloroethanimidamide?
The canonical SMILES for N'-(4-anilino-3-nitrophenyl)-2-chloroethanimidamide is N/C(CCl)=N/c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of N'-(4-anilino-3-nitrophenyl)-2-chloroethanimidamide?
The InChIKey is OUZRHCQTWWZAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c15-9-14(16)18-11-6-7-12(13(8-11)19(20)21)17-10-4-2-1-3-5-10/h1-8,17H,9H2,(H2,16,18).
What are the key properties of N'-(4-anilino-3-nitrophenyl)-2-chloroethanimidamide?
N'-(4-anilino-3-nitrophenyl)-2-chloroethanimidamide has a molecular weight of 304.74 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-anilino-3-nitrophenyl)-2-chloroethanimidamide is sourced from PubChem (CID 169365206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).