N-(2,5-dichlorophenyl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide

C16H16Cl2N4O4 — CID 9104529

IUPACN-(2,5-dichlorophenyl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide
SMILESO=C(CNc1cc([N+](=O)[O-])ccc1NCCO)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2N4O4/c17-10-1-3-12(18)14(7-10)21-16(24)9-20-15-8-11(22(25)26)2-4-13(15)19-5-6-23/h1-4,7-8,19-20,23H,5-6,9H2,(H,21,24)
InChIKeyRRPPCVMVXXGFEF-UHFFFAOYSA-N
MW399.23 g/mol
LogP3.36
Rot. Bonds8

About N-(2,5-dichlorophenyl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide

N-(2,5-dichlorophenyl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide (PubChem CID 9104529) has the molecular formula C16H16Cl2N4O4 and a molecular weight of 399.23 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide
PubChem CID9104529
Molecular FormulaC16H16Cl2N4O4
Molecular Weight399.23 g/mol
Exact Mass398.05
IUPAC NameN-(2,5-dichlorophenyl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide
SMILESO=C(CNc1cc([N+](=O)[O-])ccc1NCCO)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2N4O4/c17-10-1-3-12(18)14(7-10)21-16(24)9-20-15-8-11(22(25)26)2-4-13(15)19-5-6-23/h1-4,7-8,19-20,23H,5-6,9H2,(H,21,24)
InChIKeyRRPPCVMVXXGFEF-UHFFFAOYSA-N
XLogP3.36
TPSA116.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 24510725
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide
CID 9104576
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 46537081
1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea
CID 5122789
N-(2-chloro-5-nitrophenyl)-2-(4-chlorophenyl)acetamide
CID 4048119
N-(2-chloro-5-nitrophenyl)-4-hydroxybutanamide
CID 79200872
2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 110923536
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide
CID 31670165
N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26086204
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
3-(2-chloro-5-nitroanilino)-3-oxopropanoic acid
CID 62231127
2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 7870436

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide (CID 9104529) is N-(2,5-dichlorophenyl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide is O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide?
The InChIKey is RRPPCVMVXXGFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O4/c17-10-1-3-12(18)14(7-10)21-16(24)9-20-15-8-11(22(25)26)2-4-13(15)19-5-6-23/h1-4,7-8,19-20,23H,5-6,9H2,(H,21,24).
What are the key properties of N-(2,5-dichlorophenyl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide?
N-(2,5-dichlorophenyl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide has a molecular weight of 399.23 g/mol, XLogP of 3.36, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide is sourced from PubChem (CID 9104529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).