2-[N-(2-hydroxyethyl)anilino]-N-(2-nitrophenyl)acetamide

C16H17N3O4 — CID 110877217

IUPAC2-[N-(2-hydroxyethyl)anilino]-N-(2-nitrophenyl)acetamide
SMILESO=C(CN(CCO)c1ccccc1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H17N3O4/c20-11-10-18(13-6-2-1-3-7-13)12-16(21)17-14-8-4-5-9-15(14)19(22)23/h1-9,20H,10-12H2,(H,17,21)
InChIKeyMXPDBBQYHCTKNS-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.03
Rot. Bonds7

About 2-[N-(2-hydroxyethyl)anilino]-N-(2-nitrophenyl)acetamide

2-[N-(2-hydroxyethyl)anilino]-N-(2-nitrophenyl)acetamide (PubChem CID 110877217) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)anilino]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)anilino]-N-(2-nitrophenyl)acetamide
PubChem CID110877217
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-[N-(2-hydroxyethyl)anilino]-N-(2-nitrophenyl)acetamide
SMILESO=C(CN(CCO)c1ccccc1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H17N3O4/c20-11-10-18(13-6-2-1-3-7-13)12-16(21)17-14-8-4-5-9-15(14)19(22)23/h1-9,20H,10-12H2,(H,17,21)
InChIKeyMXPDBBQYHCTKNS-UHFFFAOYSA-N
XLogP2.03
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(2-bromophenyl)-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 110877208
2-[[2-(2-nitroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008367
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-[N-(2-hydroxyethyl)anilino]-N-(2-propan-2-ylphenyl)acetamide
CID 110880303
2-[ethyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetic acid
CID 61012422
2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-nitrophenyl)acetamide
CID 62014044
2-[bis(2-methoxyethyl)amino]-N-(2-nitrophenyl)acetamide
CID 31013542
2-[cyclopropyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetic acid
CID 60833248
N-ethyl-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 110880306
[2-(2-nitroanilino)-2-oxoethyl] 4-(diethylamino)benzoate
CID 7260754
3-chloro-N-(2-nitrophenyl)propanamide
CID 4318991
1-(2-nitrophenyl)-3-phenylurea
CID 4109613

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyethyl)anilino]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[N-(2-hydroxyethyl)anilino]-N-(2-nitrophenyl)acetamide (CID 110877217) is 2-[N-(2-hydroxyethyl)anilino]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)anilino]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[N-(2-hydroxyethyl)anilino]-N-(2-nitrophenyl)acetamide is O=C(CN(CCO)c1ccccc1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[N-(2-hydroxyethyl)anilino]-N-(2-nitrophenyl)acetamide?
The InChIKey is MXPDBBQYHCTKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-11-10-18(13-6-2-1-3-7-13)12-16(21)17-14-8-4-5-9-15(14)19(22)23/h1-9,20H,10-12H2,(H,17,21).
What are the key properties of 2-[N-(2-hydroxyethyl)anilino]-N-(2-nitrophenyl)acetamide?
2-[N-(2-hydroxyethyl)anilino]-N-(2-nitrophenyl)acetamide has a molecular weight of 315.33 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyethyl)anilino]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 110877217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).