carbamic acid;N-methyl-2-nitroaniline

C8H11N3O4 — CID 175546963

IUPACcarbamic acid;N-methyl-2-nitroaniline
SMILESCNc1ccccc1[N+](=O)[O-].NC(=O)O
InChIInChI=1S/C7H8N2O2.CH3NO2/c1-8-6-4-2-3-5-7(6)9(10)11;2-1(3)4/h2-5,8H,1H3;2H2,(H,3,4)
InChIKeyQGYTYVKDVUYLPD-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.26
Rot. Bonds2

About carbamic acid;N-methyl-2-nitroaniline

carbamic acid;N-methyl-2-nitroaniline (PubChem CID 175546963) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is carbamic acid;N-methyl-2-nitroaniline.

Molecular Properties

Compound Namecarbamic acid;N-methyl-2-nitroaniline
PubChem CID175546963
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Namecarbamic acid;N-methyl-2-nitroaniline
SMILESCNc1ccccc1[N+](=O)[O-].NC(=O)O
InChIInChI=1S/C7H8N2O2.CH3NO2/c1-8-6-4-2-3-5-7(6)9(10)11;2-1(3)4/h2-5,8H,1H3;2H2,(H,3,4)
InChIKeyQGYTYVKDVUYLPD-UHFFFAOYSA-N
XLogP1.26
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.26
H-Bond Donors ≤ 53
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

benzene-1,3-dicarboxylic acid;N-methyl-2-nitroaniline
CID 174776789
(2-methyl-3-nitrophenyl)urea
CID 22416531
3-methyl-2-(2-nitroanilino)butanamide
CID 75429977
N-methyl-2,3-dinitroaniline
CID 12620251
1-methoxy-3-(2-nitrophenyl)urea
CID 5118632
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
1-(2-nitrophenyl)-3-phenylurea
CID 4109613
azane;carbamic acid;(2-nitrophenyl)-phenylmethanone
CID 174845274
3-(methylamino)-4-nitrobenzoic acid
CID 22184623
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
N-(methylsulfamoyl)-2-nitroaniline
CID 127505599
N'-(2-nitrophenyl)benzohydrazide
CID 3718054

Frequently Asked Questions

What is the IUPAC name of carbamic acid;N-methyl-2-nitroaniline?
The IUPAC name of carbamic acid;N-methyl-2-nitroaniline (CID 175546963) is carbamic acid;N-methyl-2-nitroaniline.
What is the SMILES notation for carbamic acid;N-methyl-2-nitroaniline?
The canonical SMILES for carbamic acid;N-methyl-2-nitroaniline is CNc1ccccc1[N+](=O)[O-].NC(=O)O.
What is the InChIKey of carbamic acid;N-methyl-2-nitroaniline?
The InChIKey is QGYTYVKDVUYLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.CH3NO2/c1-8-6-4-2-3-5-7(6)9(10)11;2-1(3)4/h2-5,8H,1H3;2H2,(H,3,4).
What are the key properties of carbamic acid;N-methyl-2-nitroaniline?
carbamic acid;N-methyl-2-nitroaniline has a molecular weight of 213.19 g/mol, XLogP of 1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;N-methyl-2-nitroaniline is sourced from PubChem (CID 175546963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).