[(Z)-[(2-amino-5-nitrophenyl)-phenylmethylidene]amino]urea

C14H13N5O3 — CID 6534403

IUPAC[(Z)-[(2-amino-5-nitrophenyl)-phenylmethylidene]amino]urea
SMILESNC(=O)N/N=C(/c1ccccc1)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C14H13N5O3/c15-12-7-6-10(19(21)22)8-11(12)13(17-18-14(16)20)9-4-2-1-3-5-9/h1-8H,15H2,(H3,16,18,20)/b17-13-
InChIKeyILQUIZJUFCGORZ-LGMDPLHJSA-N
MW299.29 g/mol
LogP1.60
Rot. Bonds4

About [(Z)-[(2-amino-5-nitrophenyl)-phenylmethylidene]amino]urea

[(Z)-[(2-amino-5-nitrophenyl)-phenylmethylidene]amino]urea (PubChem CID 6534403) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is [(Z)-[(2-amino-5-nitrophenyl)-phenylmethylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[(2-amino-5-nitrophenyl)-phenylmethylidene]amino]urea
PubChem CID6534403
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name[(Z)-[(2-amino-5-nitrophenyl)-phenylmethylidene]amino]urea
SMILESNC(=O)N/N=C(/c1ccccc1)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C14H13N5O3/c15-12-7-6-10(19(21)22)8-11(12)13(17-18-14(16)20)9-4-2-1-3-5-9/h1-8H,15H2,(H3,16,18,20)/b17-13-
InChIKeyILQUIZJUFCGORZ-LGMDPLHJSA-N
XLogP1.60
TPSA136.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-nitrophenyl)-phenylmethylidene]amino]thiourea
CID 3633484
2-[(carbamoylhydrazinylidene)methyl]-5-nitrobenzoic acid
CID 168532409
2-[C-(3-chlorophenyl)carbonohydrazonoyl]-4-nitroaniline
CID 86733096
[(Z)-1-(3-nitrophenyl)butylideneamino]urea
CID 9017207
(2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone
CID 11580100
potassium 2-amino-5-nitrobenzoate
CID 171152190
(2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone
CID 5231026
[(E)-[(Z)-3-cyano-3-(4-nitrophenyl)-1-phenylprop-2-enylidene]amino]urea
CID 134997838
4-[[(E)-2,3-diamino-1-(2-amino-5-nitrophenyl)-3-oxoprop-1-enyl]amino]-N-phenylbenzamide
CID 143334186
N-(benzhydrylideneamino)-2,4-dinitroaniline
CID 139071012
4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409143
4-nitro-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409142

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(2-amino-5-nitrophenyl)-phenylmethylidene]amino]urea?
The IUPAC name of [(Z)-[(2-amino-5-nitrophenyl)-phenylmethylidene]amino]urea (CID 6534403) is [(Z)-[(2-amino-5-nitrophenyl)-phenylmethylidene]amino]urea.
What is the SMILES notation for [(Z)-[(2-amino-5-nitrophenyl)-phenylmethylidene]amino]urea?
The canonical SMILES for [(Z)-[(2-amino-5-nitrophenyl)-phenylmethylidene]amino]urea is NC(=O)N/N=C(/c1ccccc1)c1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of [(Z)-[(2-amino-5-nitrophenyl)-phenylmethylidene]amino]urea?
The InChIKey is ILQUIZJUFCGORZ-LGMDPLHJSA-N. The full InChI is InChI=1S/C14H13N5O3/c15-12-7-6-10(19(21)22)8-11(12)13(17-18-14(16)20)9-4-2-1-3-5-9/h1-8H,15H2,(H3,16,18,20)/b17-13-.
What are the key properties of [(Z)-[(2-amino-5-nitrophenyl)-phenylmethylidene]amino]urea?
[(Z)-[(2-amino-5-nitrophenyl)-phenylmethylidene]amino]urea has a molecular weight of 299.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(2-amino-5-nitrophenyl)-phenylmethylidene]amino]urea is sourced from PubChem (CID 6534403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).