N'-methyl-N-(4-nitroanilino)benzenecarboximidamide

C14H14N4O2 — CID 14906458

IUPACN'-methyl-N-(4-nitroanilino)benzenecarboximidamide
SMILESC/N=C(/NNc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C14H14N4O2/c1-15-14(11-5-3-2-4-6-11)17-16-12-7-9-13(10-8-12)18(19)20/h2-10,16H,1H3,(H,15,17)
InChIKeyNWPCMVLUDUDMKP-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.59
Rot. Bonds4

About N'-methyl-N-(4-nitroanilino)benzenecarboximidamide

N'-methyl-N-(4-nitroanilino)benzenecarboximidamide (PubChem CID 14906458) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N'-methyl-N-(4-nitroanilino)benzenecarboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(4-nitroanilino)benzenecarboximidamide
PubChem CID14906458
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN'-methyl-N-(4-nitroanilino)benzenecarboximidamide
SMILESC/N=C(/NNc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C14H14N4O2/c1-15-14(11-5-3-2-4-6-11)17-16-12-7-9-13(10-8-12)18(19)20/h2-10,16H,1H3,(H,15,17)
InChIKeyNWPCMVLUDUDMKP-UHFFFAOYSA-N
XLogP2.59
TPSA79.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

N'-benzyl-N-(4-nitroanilino)benzenecarboximidamide
CID 3091805
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid
CID 117061946
1-anilino-3-(4-nitrophenyl)iminothiourea
CID 4533380
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802
4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline
CID 12706501
(1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonoyl bromide
CID 11348604
benzyl N-(4-nitroanilino)carbamate
CID 101274161
1-(4-nitrophenyl)-3-[4-(2-oxo-2-phenylacetyl)phenyl]urea
CID 3126804
3,5-dinitro-N'-phenylbenzohydrazide
CID 78774569
N'-(4-methylphenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]benzenecarboximidamide;hydrochloride
CID 163339519
N'-(4-methylphenyl)sulfonyl-4-nitro-N-phenylbenzenecarboximidamide
CID 2951197

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(4-nitroanilino)benzenecarboximidamide?
The IUPAC name of N'-methyl-N-(4-nitroanilino)benzenecarboximidamide (CID 14906458) is N'-methyl-N-(4-nitroanilino)benzenecarboximidamide.
What is the SMILES notation for N'-methyl-N-(4-nitroanilino)benzenecarboximidamide?
The canonical SMILES for N'-methyl-N-(4-nitroanilino)benzenecarboximidamide is C/N=C(/NNc1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of N'-methyl-N-(4-nitroanilino)benzenecarboximidamide?
The InChIKey is NWPCMVLUDUDMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-15-14(11-5-3-2-4-6-11)17-16-12-7-9-13(10-8-12)18(19)20/h2-10,16H,1H3,(H,15,17).
What are the key properties of N'-methyl-N-(4-nitroanilino)benzenecarboximidamide?
N'-methyl-N-(4-nitroanilino)benzenecarboximidamide has a molecular weight of 270.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(4-nitroanilino)benzenecarboximidamide is sourced from PubChem (CID 14906458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).