N-(4-chloro-3-nitrophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide

C11H14ClN3O4 — CID 110880656

IUPACN-(4-chloro-3-nitrophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
SMILESCN(CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14ClN3O4/c1-14(4-5-16)7-11(17)13-8-2-3-9(12)10(6-8)15(18)19/h2-3,6,16H,4-5,7H2,1H3,(H,13,17)
InChIKeyISUXQDKQVCFJIY-UHFFFAOYSA-N
MW287.70 g/mol
LogP1.11
Rot. Bonds6

About N-(4-chloro-3-nitrophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide

N-(4-chloro-3-nitrophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide (PubChem CID 110880656) has the molecular formula C11H14ClN3O4 and a molecular weight of 287.70 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
PubChem CID110880656
Molecular FormulaC11H14ClN3O4
Molecular Weight287.70 g/mol
Exact Mass287.07
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
SMILESCN(CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14ClN3O4/c1-14(4-5-16)7-11(17)13-8-2-3-9(12)10(6-8)15(18)19/h2-3,6,16H,4-5,7H2,1H3,(H,13,17)
InChIKeyISUXQDKQVCFJIY-UHFFFAOYSA-N
XLogP1.11
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 51.11
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

2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide
CID 18078774
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
3-[butyl(methyl)amino]-N-(4-chloro-3-nitrophenyl)propanamide
CID 108806818
N,N'-bis(4-chloro-3-nitrophenyl)decanediamide
CID 17080083
N-(3-chloro-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683803
N-(4-chloro-3-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 39778498
N'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 108512751
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60704303
3-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-1-methylurea
CID 47324672
4-amino-N-(4-chloro-3-nitrophenyl)butanamide
CID 43708466
1-(4-chloro-3-nitrophenyl)-3-methylurea
CID 47173770
N-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide
CID 103606725

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide (CID 110880656) is N-(4-chloro-3-nitrophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide is CN(CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide?
The InChIKey is ISUXQDKQVCFJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O4/c1-14(4-5-16)7-11(17)13-8-2-3-9(12)10(6-8)15(18)19/h2-3,6,16H,4-5,7H2,1H3,(H,13,17).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide?
N-(4-chloro-3-nitrophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide has a molecular weight of 287.70 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide is sourced from PubChem (CID 110880656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).