N-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide

C13H18ClN3O4 — CID 111336322

IUPACN-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)O
InChIInChI=1S/C13H18ClN3O4/c1-13(2,19)8-16(3)7-12(18)15-11-5-4-9(17(20)21)6-10(11)14/h4-6,19H,7-8H2,1-3H3,(H,15,18)
InChIKeyLCJIYALNOVIARC-UHFFFAOYSA-N
MW315.76 g/mol
LogP1.89
Rot. Bonds6

About N-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide

N-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide (PubChem CID 111336322) has the molecular formula C13H18ClN3O4 and a molecular weight of 315.76 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
PubChem CID111336322
Molecular FormulaC13H18ClN3O4
Molecular Weight315.76 g/mol
Exact Mass315.10
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)O
InChIInChI=1S/C13H18ClN3O4/c1-13(2,19)8-16(3)7-12(18)15-11-5-4-9(17(20)21)6-10(11)14/h4-6,19H,7-8H2,1-3H3,(H,15,18)
InChIKeyLCJIYALNOVIARC-UHFFFAOYSA-N
XLogP1.89
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 51.89
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-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
CID 8901305
N-(2-chloro-4-nitrophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9288060
2-[[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222930
N-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965875
2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide
CID 27150066
N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide
CID 43218215
N-(2-chloro-4-nitrophenyl)-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]acetamide
CID 126829500
N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide
CID 11043415
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099
N-(2-chloro-4-nitrophenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 18543578
3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-methyl-4-nitrophenyl)propanamide
CID 38508977
N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide
CID 79200154

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide (CID 111336322) is N-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide is CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)O.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
The InChIKey is LCJIYALNOVIARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O4/c1-13(2,19)8-16(3)7-12(18)15-11-5-4-9(17(20)21)6-10(11)14/h4-6,19H,7-8H2,1-3H3,(H,15,18).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
N-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide has a molecular weight of 315.76 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide is sourced from PubChem (CID 111336322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).