N-[4-[(carbamoylhydrazinylidene)methyl]-2-nitrophenyl]acetamide

C10H11N5O4 — CID 168533920

IUPACN-[4-[(carbamoylhydrazinylidene)methyl]-2-nitrophenyl]acetamide
SMILESCC(=O)Nc1ccc(C=NNC(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O4/c1-6(16)13-8-3-2-7(4-9(8)15(18)19)5-12-14-10(11)17/h2-5H,1H3,(H,13,16)(H3,11,14,17)
InChIKeyYUKAWDAKWQOUQP-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.56
Rot. Bonds4

About N-[4-[(carbamoylhydrazinylidene)methyl]-2-nitrophenyl]acetamide

N-[4-[(carbamoylhydrazinylidene)methyl]-2-nitrophenyl]acetamide (PubChem CID 168533920) has the molecular formula C10H11N5O4 and a molecular weight of 265.23 g/mol. Its IUPAC name is N-[4-[(carbamoylhydrazinylidene)methyl]-2-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(carbamoylhydrazinylidene)methyl]-2-nitrophenyl]acetamide
PubChem CID168533920
Molecular FormulaC10H11N5O4
Molecular Weight265.23 g/mol
Exact Mass265.08
IUPAC NameN-[4-[(carbamoylhydrazinylidene)methyl]-2-nitrophenyl]acetamide
SMILESCC(=O)Nc1ccc(C=NNC(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O4/c1-6(16)13-8-3-2-7(4-9(8)15(18)19)5-12-14-10(11)17/h2-5H,1H3,(H,13,16)(H3,11,14,17)
InChIKeyYUKAWDAKWQOUQP-UHFFFAOYSA-N
XLogP0.56
TPSA139.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

[(3,4-dinitrophenyl)methylideneamino]urea
CID 168533904
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048
3-(4-acetamido-3-nitrophenyl)prop-2-enamide
CID 169482609
N-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenyl]acetamide
CID 168628252
[(3,4-dinitrophenyl)methylideneamino]thiourea
CID 168536343
N-[4-[(carbamothioylhydrazinylidene)methyl]-2-fluorophenyl]acetamide
CID 3001792
2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide
CID 42992282
4-acetamido-N-[[4-(2-acetamidophenyl)sulfanyl-3-nitrophenyl]methylideneamino]benzamide
CID 4027376
4-acetamido-N-[(E)-[4-(2-acetamidophenyl)sulfanyl-3-nitrophenyl]methylideneamino]benzamide
CID 124551903
methyl N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]carbamate
CID 135730415
N-[4-(4-azidobut-1-enyl)-2-nitrophenyl]acetamide
CID 170486190
1-[(4-methyl-3-nitrophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 926783

Frequently Asked Questions

What is the IUPAC name of N-[4-[(carbamoylhydrazinylidene)methyl]-2-nitrophenyl]acetamide?
The IUPAC name of N-[4-[(carbamoylhydrazinylidene)methyl]-2-nitrophenyl]acetamide (CID 168533920) is N-[4-[(carbamoylhydrazinylidene)methyl]-2-nitrophenyl]acetamide.
What is the SMILES notation for N-[4-[(carbamoylhydrazinylidene)methyl]-2-nitrophenyl]acetamide?
The canonical SMILES for N-[4-[(carbamoylhydrazinylidene)methyl]-2-nitrophenyl]acetamide is CC(=O)Nc1ccc(C=NNC(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of N-[4-[(carbamoylhydrazinylidene)methyl]-2-nitrophenyl]acetamide?
The InChIKey is YUKAWDAKWQOUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4/c1-6(16)13-8-3-2-7(4-9(8)15(18)19)5-12-14-10(11)17/h2-5H,1H3,(H,13,16)(H3,11,14,17).
What are the key properties of N-[4-[(carbamoylhydrazinylidene)methyl]-2-nitrophenyl]acetamide?
N-[4-[(carbamoylhydrazinylidene)methyl]-2-nitrophenyl]acetamide has a molecular weight of 265.23 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(carbamoylhydrazinylidene)methyl]-2-nitrophenyl]acetamide is sourced from PubChem (CID 168533920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).