N-(5-chloro-2-nitrophenyl)-N-phenylnitrous amide

C12H8ClN3O3 — CID 175678990

IUPACN-(5-chloro-2-nitrophenyl)-N-phenylnitrous amide
SMILESO=NN(c1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H8ClN3O3/c13-9-6-7-11(16(18)19)12(8-9)15(14-17)10-4-2-1-3-5-10/h1-8H
InChIKeyXHFZOJMKONXQQT-UHFFFAOYSA-N
MW277.67 g/mol
LogP4.07
Rot. Bonds4

About N-(5-chloro-2-nitrophenyl)-N-phenylnitrous amide

N-(5-chloro-2-nitrophenyl)-N-phenylnitrous amide (PubChem CID 175678990) has the molecular formula C12H8ClN3O3 and a molecular weight of 277.67 g/mol. Its IUPAC name is N-(5-chloro-2-nitrophenyl)-N-phenylnitrous amide.

Molecular Properties

Compound NameN-(5-chloro-2-nitrophenyl)-N-phenylnitrous amide
PubChem CID175678990
Molecular FormulaC12H8ClN3O3
Molecular Weight277.67 g/mol
Exact Mass277.03
IUPAC NameN-(5-chloro-2-nitrophenyl)-N-phenylnitrous amide
SMILESO=NN(c1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H8ClN3O3/c13-9-6-7-11(16(18)19)12(8-9)15(14-17)10-4-2-1-3-5-10/h1-8H
InChIKeyXHFZOJMKONXQQT-UHFFFAOYSA-N
XLogP4.07
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-nitro-4-[3-nitro-4-(N-nitrosoanilino)phenyl]sulfonylphenyl]-N-phenylnitrous amide
CID 54589563
N-bromo-5-chloro-N-iodo-2-nitroaniline
CID 87294492
CID 177400193
CID 177400193
1-(N-(4-chloro-2-nitrophenyl)anilino)ethanol
CID 153374065
2-(5-chloro-N-methyl-2-nitroanilino)benzonitrile
CID 115469458
N-(5-chloro-2-nitrophenyl)-N-(2,6-difluorobenzoyl)-2,6-difluorobenzamide
CID 69364164
(4-chloro-2-nitro-N-nitrosoanilino) nitrate
CID 19994155
CID 58762875
CID 58762875
2-(benzenesulfonylmethyl)-4-chloro-1-nitrobenzene
CID 2324900
N-chloro-3,4-dinitro-N-phenylaniline
CID 174733567
2-chloro-N-(methylideneamino)-4-nitro-N-phenylaniline
CID 68571220
4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline
CID 67905475

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-nitrophenyl)-N-phenylnitrous amide?
The IUPAC name of N-(5-chloro-2-nitrophenyl)-N-phenylnitrous amide (CID 175678990) is N-(5-chloro-2-nitrophenyl)-N-phenylnitrous amide.
What is the SMILES notation for N-(5-chloro-2-nitrophenyl)-N-phenylnitrous amide?
The canonical SMILES for N-(5-chloro-2-nitrophenyl)-N-phenylnitrous amide is O=NN(c1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N-(5-chloro-2-nitrophenyl)-N-phenylnitrous amide?
The InChIKey is XHFZOJMKONXQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3/c13-9-6-7-11(16(18)19)12(8-9)15(14-17)10-4-2-1-3-5-10/h1-8H.
What are the key properties of N-(5-chloro-2-nitrophenyl)-N-phenylnitrous amide?
N-(5-chloro-2-nitrophenyl)-N-phenylnitrous amide has a molecular weight of 277.67 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-nitrophenyl)-N-phenylnitrous amide is sourced from PubChem (CID 175678990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).