(4-nitrophenyl) N-(1H-indol-5-yl)carbamate

C15H11N3O4 — CID 57343439

IUPAC(4-nitrophenyl) N-(1H-indol-5-yl)carbamate
SMILESO=C(Nc1ccc2[nH]ccc2c1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O4/c19-15(22-13-4-2-12(3-5-13)18(20)21)17-11-1-6-14-10(9-11)7-8-16-14/h1-9,16H,(H,17,19)
InChIKeyUXBAOILWJBRHSC-UHFFFAOYSA-N
MW297.27 g/mol
LogP3.69
Rot. Bonds3

About (4-nitrophenyl) N-(1H-indol-5-yl)carbamate

(4-nitrophenyl) N-(1H-indol-5-yl)carbamate (PubChem CID 57343439) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is (4-nitrophenyl) N-(1H-indol-5-yl)carbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-(1H-indol-5-yl)carbamate
PubChem CID57343439
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name(4-nitrophenyl) N-(1H-indol-5-yl)carbamate
SMILESO=C(Nc1ccc2[nH]ccc2c1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O4/c19-15(22-13-4-2-12(3-5-13)18(20)21)17-11-1-6-14-10(9-11)7-8-16-14/h1-9,16H,(H,17,19)
InChIKeyUXBAOILWJBRHSC-UHFFFAOYSA-N
XLogP3.69
TPSA97.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-pyridin-4-ylcarbamate
CID 10355188
(4-nitrophenyl) N-[3-amino-4-(trifluoromethyl)phenyl]carbamate
CID 121257466
methyl 2-methoxy-5-[(4-nitrophenoxy)carbonylamino]benzoate
CID 58572101
(4-nitrophenyl) N-pyrimidin-5-ylcarbamate
CID 59536323
(4-nitrophenyl) N-[4-[tris(4-tert-butylphenyl)methyl]phenyl]carbamate
CID 11411276
methyl 3-[(4-nitrophenoxy)carbonylamino]benzoate
CID 19081261
(4-nitrophenyl) N-(1,3-benzothiazol-6-yl)carbamate
CID 59671611
[4-[(4-nitrophenoxy)carbonylamino]phenyl]methylcarbamic acid
CID 174223547
(4-nitrophenyl) N-[3-(4-formylphenyl)phenyl]carbamate
CID 142150976
(4-nitrophenyl) N-(2,6-dichloropyrimidin-4-yl)carbamate
CID 155292903
3-nitro-5-[4-(phenoxycarbonylamino)phenyl]benzoic acid
CID 178084104
(4-nitrophenyl) N-chlorosulfonylcarbamate
CID 13382505

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-(1H-indol-5-yl)carbamate?
The IUPAC name of (4-nitrophenyl) N-(1H-indol-5-yl)carbamate (CID 57343439) is (4-nitrophenyl) N-(1H-indol-5-yl)carbamate.
What is the SMILES notation for (4-nitrophenyl) N-(1H-indol-5-yl)carbamate?
The canonical SMILES for (4-nitrophenyl) N-(1H-indol-5-yl)carbamate is O=C(Nc1ccc2[nH]ccc2c1)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl) N-(1H-indol-5-yl)carbamate?
The InChIKey is UXBAOILWJBRHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c19-15(22-13-4-2-12(3-5-13)18(20)21)17-11-1-6-14-10(9-11)7-8-16-14/h1-9,16H,(H,17,19).
What are the key properties of (4-nitrophenyl) N-(1H-indol-5-yl)carbamate?
(4-nitrophenyl) N-(1H-indol-5-yl)carbamate has a molecular weight of 297.27 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-(1H-indol-5-yl)carbamate is sourced from PubChem (CID 57343439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).