2-[(2-chloro-4-nitrophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

C16H14ClN5O5 — CID 135715596

IUPAC2-[(2-chloro-4-nitrophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N/N=C/c1ccccc1O
InChIInChI=1S/C16H14ClN5O5/c17-12-7-11(22(26)27)5-6-13(12)20-16(25)18-9-15(24)21-19-8-10-3-1-2-4-14(10)23/h1-8,23H,9H2,(H,21,24)(H2,18,20,25)/b19-8+
InChIKeyNAHDTDWEPXDFNC-UFWORHAWSA-N
MW391.77 g/mol
LogP2.23
Rot. Bonds6

About 2-[(2-chloro-4-nitrophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

2-[(2-chloro-4-nitrophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135715596) has the molecular formula C16H14ClN5O5 and a molecular weight of 391.77 g/mol. Its IUPAC name is 2-[(2-chloro-4-nitrophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-nitrophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135715596
Molecular FormulaC16H14ClN5O5
Molecular Weight391.77 g/mol
Exact Mass391.07
IUPAC Name2-[(2-chloro-4-nitrophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N/N=C/c1ccccc1O
InChIInChI=1S/C16H14ClN5O5/c17-12-7-11(22(26)27)5-6-13(12)20-16(25)18-9-15(24)21-19-8-10-3-1-2-4-14(10)23/h1-8,23H,9H2,(H,21,24)(H2,18,20,25)/b19-8+
InChIKeyNAHDTDWEPXDFNC-UFWORHAWSA-N
XLogP2.23
TPSA145.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.77
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

N-(3-Chlorophenyl)-3-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135439752
1-Piperazineacetic acid, 4-phenyl-, (((2-chloro-4-nitrophenyl)azo)(2-hydroxyphenyl)methylene)hydrazide
CID 135599781
(E)-2-((4-chloro-2-methylphenyl)amino)-N'-(2-hydroxy-5-nitrobenzylidene)acetohydrazide
CID 86261308
2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135750346
N-(3-chlorophenyl)-N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide
CID 5197404
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-[(3-nitrophenyl)carbamoylamino]acetamide
CID 54610581
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(3-nitrophenyl)carbamoylamino]acetamide
CID 135491252
2-[(2,3-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135491257
N-(3-chlorophenyl)-2-[2-(2-hydroxybenzylidene)hydrazino]-2-oxoacetamide
CID 135501445
2-(3-chloroanilino)-N'-[(E)-(2-hydroxyphenyl)methylidene]acetohydrazide
CID 135751893
2-[(3-Chlorophenyl)amino]-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]acetohydrazide
CID 135821684
2-[(4-Chlorophenyl)amino]-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]propanehydrazide
CID 135957595

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-nitrophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(2-chloro-4-nitrophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135715596) is 2-[(2-chloro-4-nitrophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(2-chloro-4-nitrophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(2-chloro-4-nitrophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N/N=C/c1ccccc1O.
What is the InChIKey of 2-[(2-chloro-4-nitrophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is NAHDTDWEPXDFNC-UFWORHAWSA-N. The full InChI is InChI=1S/C16H14ClN5O5/c17-12-7-11(22(26)27)5-6-13(12)20-16(25)18-9-15(24)21-19-8-10-3-1-2-4-14(10)23/h1-8,23H,9H2,(H,21,24)(H2,18,20,25)/b19-8+.
What are the key properties of 2-[(2-chloro-4-nitrophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-[(2-chloro-4-nitrophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 391.77 g/mol, XLogP of 2.23, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-nitrophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135715596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).