N-[2-[formyl(methyl)amino]-4-nitrophenyl]-N-methylformamide

C10H11N3O4 — CID 2785508

IUPACN-[2-[formyl(methyl)amino]-4-nitrophenyl]-N-methylformamide
SMILESCN(C=O)c1ccc([N+](=O)[O-])cc1N(C)C=O
InChIInChI=1S/C10H11N3O4/c1-11(6-14)9-4-3-8(13(16)17)5-10(9)12(2)7-15/h3-7H,1-2H3
InChIKeyPCJSVRCCTJESFY-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.78
Rot. Bonds5

About N-[2-[formyl(methyl)amino]-4-nitrophenyl]-N-methylformamide

N-[2-[formyl(methyl)amino]-4-nitrophenyl]-N-methylformamide (PubChem CID 2785508) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is N-[2-[formyl(methyl)amino]-4-nitrophenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[2-[formyl(methyl)amino]-4-nitrophenyl]-N-methylformamide
PubChem CID2785508
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC NameN-[2-[formyl(methyl)amino]-4-nitrophenyl]-N-methylformamide
SMILESCN(C=O)c1ccc([N+](=O)[O-])cc1N(C)C=O
InChIInChI=1S/C10H11N3O4/c1-11(6-14)9-4-3-8(13(16)17)5-10(9)12(2)7-15/h3-7H,1-2H3
InChIKeyPCJSVRCCTJESFY-UHFFFAOYSA-N
XLogP0.78
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.78
H-Bond Donors ≤ 50
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(propyl)amino]-5-nitrobenzaldehyde
CID 43271406
2-[2-[ethyl(methyl)amino]-5-nitrophenyl]acetaldehyde
CID 143412707
N,N-dihydroxy-2-methyl-5-nitroaniline
CID 87329382
2-[(dimethylamino)methyl]-N,N-dimethyl-4-nitroaniline
CID 69081137
2-[butan-2-yl(methyl)amino]-5-nitrobenzaldehyde
CID 43273066
1-(2-hydroxy-4-nitrophenyl)-1,3-dimethylurea
CID 19818309
(2,4-dinitrophenyl)-methylcarbamic acid
CID 163792600
2-[cyclobutylmethyl(methyl)amino]-5-nitrobenzaldehyde
CID 62860800
1-N-methyl-1-N-(2-methylphenyl)-4-nitrobenzene-1,2-diamine
CID 62507646
N-(2-hydroxy-5-nitrophenyl)-N-(1-phenylcyclopentyl)formamide
CID 53446284
2-(N-methyl-2,4-dinitroanilino)acetate
CID 7099160
2-methyl-4-nitro-N,N-bis(prop-2-enyl)aniline
CID 11379268

Frequently Asked Questions

What is the IUPAC name of N-[2-[formyl(methyl)amino]-4-nitrophenyl]-N-methylformamide?
The IUPAC name of N-[2-[formyl(methyl)amino]-4-nitrophenyl]-N-methylformamide (CID 2785508) is N-[2-[formyl(methyl)amino]-4-nitrophenyl]-N-methylformamide.
What is the SMILES notation for N-[2-[formyl(methyl)amino]-4-nitrophenyl]-N-methylformamide?
The canonical SMILES for N-[2-[formyl(methyl)amino]-4-nitrophenyl]-N-methylformamide is CN(C=O)c1ccc([N+](=O)[O-])cc1N(C)C=O.
What is the InChIKey of N-[2-[formyl(methyl)amino]-4-nitrophenyl]-N-methylformamide?
The InChIKey is PCJSVRCCTJESFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-11(6-14)9-4-3-8(13(16)17)5-10(9)12(2)7-15/h3-7H,1-2H3.
What are the key properties of N-[2-[formyl(methyl)amino]-4-nitrophenyl]-N-methylformamide?
N-[2-[formyl(methyl)amino]-4-nitrophenyl]-N-methylformamide has a molecular weight of 237.22 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[formyl(methyl)amino]-4-nitrophenyl]-N-methylformamide is sourced from PubChem (CID 2785508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).