N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide

C9H9N3O4 — CID 174454415

IUPACN-[(2-methyl-3-nitrophenyl)carbamoyl]formamide
SMILESCc1c(NC(=O)NC=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H9N3O4/c1-6-7(11-9(14)10-5-13)3-2-4-8(6)12(15)16/h2-5H,1H3,(H2,10,11,13,14)
InChIKeyAEHUYVJXVWPYMH-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.18
Rot. Bonds3

About N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide

N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide (PubChem CID 174454415) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide.

Molecular Properties

Compound NameN-[(2-methyl-3-nitrophenyl)carbamoyl]formamide
PubChem CID174454415
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC NameN-[(2-methyl-3-nitrophenyl)carbamoyl]formamide
SMILESCc1c(NC(=O)NC=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H9N3O4/c1-6-7(11-9(14)10-5-13)3-2-4-8(6)12(15)16/h2-5H,1H3,(H2,10,11,13,14)
InChIKeyAEHUYVJXVWPYMH-UHFFFAOYSA-N
XLogP1.18
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-3-nitrophenyl)urea
CID 22416531
(E)-N-(2-methyl-3-nitrophenyl)but-2-enamide
CID 110459718
2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 4927442
1-[(2-methyl-3-nitrophenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 107810989
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
N-(2-methyl-3-nitrophenyl)hydroxylamine
CID 5489549
N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 675560
2-methyl-3-[(2-methyl-3-nitrophenyl)carbamoylamino]propanoic acid
CID 107810997
2-[(2-methyl-3-nitrophenyl)carbamoylamino]ethyl acetate
CID 126829883
1-(1-acetylazetidin-3-yl)-3-(2-methyl-3-nitrophenyl)urea
CID 126821448
(2R)-3-hydroxy-2-[(2-methyl-3-nitrophenyl)carbamoylamino]propanoic acid
CID 107810953

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide?
The IUPAC name of N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide (CID 174454415) is N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide.
What is the SMILES notation for N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide?
The canonical SMILES for N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide is Cc1c(NC(=O)NC=O)cccc1[N+](=O)[O-].
What is the InChIKey of N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide?
The InChIKey is AEHUYVJXVWPYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c1-6-7(11-9(14)10-5-13)3-2-4-8(6)12(15)16/h2-5H,1H3,(H2,10,11,13,14).
What are the key properties of N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide?
N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide has a molecular weight of 223.19 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide is sourced from PubChem (CID 174454415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).