N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide

C10H12ClN3O3 — CID 11043415

IUPACN-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H12ClN3O3/c1-13(2)6-10(15)12-9-5-7(14(16)17)3-4-8(9)11/h3-5H,6H2,1-2H3,(H,12,15)
InChIKeyCFGHOXKLPLQVQQ-UHFFFAOYSA-N
MW257.68 g/mol
LogP1.75
Rot. Bonds4

About N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide

N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide (PubChem CID 11043415) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide
PubChem CID11043415
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC NameN-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H12ClN3O3/c1-13(2)6-10(15)12-9-5-7(14(16)17)3-4-8(9)11/h3-5H,6H2,1-2H3,(H,12,15)
InChIKeyCFGHOXKLPLQVQQ-UHFFFAOYSA-N
XLogP1.75
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-chloro-5-nitrophenyl)propanamide
CID 4280315
3-(2-chloro-5-nitroanilino)-3-oxopropanoic acid
CID 62231127
3-(2-chloro-5-nitrophenyl)-1,1-diethylurea
CID 17257251
N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-2-(dimethylamino)acetamide
CID 18870864
[2-(2-chloro-5-nitroanilino)-2-oxoethyl]-trimethylazanium chloride
CID 11098862
N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide
CID 889214
N-(2-chloro-5-nitrophenyl)-2-(4-chlorophenyl)acetamide
CID 4048119
N-(2-chloro-5-nitrophenyl)-4-hydroxybutanamide
CID 79200872
5-(2-chloro-5-nitroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 27156159
(2S)-N-(2-chloro-5-nitrophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 41093919
2-[2-(2-chloro-5-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 112682889
2-[(2-chloro-5-nitrophenyl)carbamothioyl-methylamino]-N-cyclopropylacetamide
CID 9283808

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide (CID 11043415) is N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide?
The InChIKey is CFGHOXKLPLQVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-13(2)6-10(15)12-9-5-7(14(16)17)3-4-8(9)11/h3-5H,6H2,1-2H3,(H,12,15).
What are the key properties of N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide?
N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide has a molecular weight of 257.68 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide is sourced from PubChem (CID 11043415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).