[(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate

C14H10ClN3O4 — CID 5406979

IUPAC[(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)O/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10ClN3O4/c15-11-3-5-12(6-4-11)17-14(19)22-16-9-10-1-7-13(8-2-10)18(20)21/h1-9H,(H,17,19)/b16-9-
InChIKeyQGOSTHNDDQFMHG-SXGWCWSVSA-N
MW319.70 g/mol
LogP3.83
Rot. Bonds4

About [(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate

[(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate (PubChem CID 5406979) has the molecular formula C14H10ClN3O4 and a molecular weight of 319.70 g/mol. Its IUPAC name is [(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name[(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate
PubChem CID5406979
Molecular FormulaC14H10ClN3O4
Molecular Weight319.70 g/mol
Exact Mass319.04
IUPAC Name[(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)O/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10ClN3O4/c15-11-3-5-12(6-4-11)17-14(19)22-16-9-10-1-7-13(8-2-10)18(20)21/h1-9H,(H,17,19)/b16-9-
InChIKeyQGOSTHNDDQFMHG-SXGWCWSVSA-N
XLogP3.83
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.70
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 5338215
1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea
CID 10543618
N-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide
CID 2293023
[(3-nitrophenyl)methylideneamino] N-[4-(trifluoromethyl)phenyl]carbamate
CID 2726408
[(Z)-(3-nitrophenyl)methylideneamino] N-[4-(trifluoromethyl)phenyl]carbamate
CID 6054760
2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 5392445
1-[(E)-(4-chlorophenyl)methylideneamino]-1-(2-cyanoethyl)-3-(4-nitrophenyl)urea
CID 134113074
1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine
CID 135981310
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4091193
methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate
CID 5417428
methyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6898768
methyl N-[(4-nitrophenyl)methylideneamino]carbamate
CID 909440

Frequently Asked Questions

What is the IUPAC name of [(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate?
The IUPAC name of [(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate (CID 5406979) is [(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate.
What is the SMILES notation for [(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate?
The canonical SMILES for [(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1)O/N=C\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate?
The InChIKey is QGOSTHNDDQFMHG-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H10ClN3O4/c15-11-3-5-12(6-4-11)17-14(19)22-16-9-10-1-7-13(8-2-10)18(20)21/h1-9H,(H,17,19)/b16-9-.
What are the key properties of [(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate?
[(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate has a molecular weight of 319.70 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 5406979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).