(4-nitrophenyl) N-anilino-N-phenylcarbamate

C19H15N3O4 — CID 91700020

IUPAC(4-nitrophenyl) N-anilino-N-phenylcarbamate
SMILESO=C(Oc1ccc([N+](=O)[O-])cc1)N(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H15N3O4/c23-19(26-18-13-11-17(12-14-18)22(24)25)21(16-9-5-2-6-10-16)20-15-7-3-1-4-8-15/h1-14,20H
InChIKeyRZVJDSHHJHOLCY-UHFFFAOYSA-N
MW349.35 g/mol
LogP4.63
Rot. Bonds5

About (4-nitrophenyl) N-anilino-N-phenylcarbamate

(4-nitrophenyl) N-anilino-N-phenylcarbamate (PubChem CID 91700020) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is (4-nitrophenyl) N-anilino-N-phenylcarbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-anilino-N-phenylcarbamate
PubChem CID91700020
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name(4-nitrophenyl) N-anilino-N-phenylcarbamate
SMILESO=C(Oc1ccc([N+](=O)[O-])cc1)N(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H15N3O4/c23-19(26-18-13-11-17(12-14-18)22(24)25)21(16-9-5-2-6-10-16)20-15-7-3-1-4-8-15/h1-14,20H
InChIKeyRZVJDSHHJHOLCY-UHFFFAOYSA-N
XLogP4.63
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-nitrophenyl) N-hydroxy-N-methylcarbamate
CID 23248303
(4-nitrophenyl) N-methoxycarbonyl-N-methylcarbamate
CID 12982513
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3-(4-nitrophenoxy)-3-oxopropanoic acid
CID 14314981
bis(4-nitrophenyl) carbonate;propanedioic acid
CID 87576808
4-(4-nitrophenoxy)-N,N-diphenylaniline
CID 132556433
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
4-(4-nitrophenoxy)-N-phenylbenzamide
CID 2977930
sodium;hydrogen carbonate;(4-nitrophenyl) hydrogen carbonate
CID 67826864
carbonochloridic acid;(4-nitrophenyl) carbonochloridate
CID 86696914
carbonic acid;(4-nitrophenyl) carbonochloridate
CID 87131285
acetic acid;(4-nitrophenyl) hydrogen carbonate
CID 175389451

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-anilino-N-phenylcarbamate?
The IUPAC name of (4-nitrophenyl) N-anilino-N-phenylcarbamate (CID 91700020) is (4-nitrophenyl) N-anilino-N-phenylcarbamate.
What is the SMILES notation for (4-nitrophenyl) N-anilino-N-phenylcarbamate?
The canonical SMILES for (4-nitrophenyl) N-anilino-N-phenylcarbamate is O=C(Oc1ccc([N+](=O)[O-])cc1)N(Nc1ccccc1)c1ccccc1.
What is the InChIKey of (4-nitrophenyl) N-anilino-N-phenylcarbamate?
The InChIKey is RZVJDSHHJHOLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-19(26-18-13-11-17(12-14-18)22(24)25)21(16-9-5-2-6-10-16)20-15-7-3-1-4-8-15/h1-14,20H.
What are the key properties of (4-nitrophenyl) N-anilino-N-phenylcarbamate?
(4-nitrophenyl) N-anilino-N-phenylcarbamate has a molecular weight of 349.35 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-anilino-N-phenylcarbamate is sourced from PubChem (CID 91700020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).