N-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide

C14H14ClN3O3S — CID 8965875

IUPACN-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccs1
InChIInChI=1S/C14H14ClN3O3S/c1-17(8-11-3-2-6-22-11)9-14(19)16-13-5-4-10(18(20)21)7-12(13)15/h2-7H,8-9H2,1H3,(H,16,19)
InChIKeyGKHKJOOAMWJSIL-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.38
Rot. Bonds6

About N-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide

N-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 8965875) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID8965875
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccs1
InChIInChI=1S/C14H14ClN3O3S/c1-17(8-11-3-2-6-22-11)9-14(19)16-13-5-4-10(18(20)21)7-12(13)15/h2-7H,8-9H2,1H3,(H,16,19)
InChIKeyGKHKJOOAMWJSIL-UHFFFAOYSA-N
XLogP3.38
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.38
H-Bond Donors ≤ 51
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
2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide
CID 8965861
N-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 111336322
N-(2-chloro-4-nitrophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9288060
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24682256
N-(2-chloro-4-nitrophenyl)-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]acetamide
CID 126829500
2-[bis(thiophen-2-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 8800904
2-[[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222930
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965256
N-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965374
2-chloro-N-[2-[methyl(thiophen-2-ylmethyl)carbamoyl]phenyl]-4-nitrobenzamide
CID 38741321
2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide
CID 8800986

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (CID 8965875) is N-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccs1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is GKHKJOOAMWJSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c1-17(8-11-3-2-6-22-11)9-14(19)16-13-5-4-10(18(20)21)7-12(13)15/h2-7H,8-9H2,1H3,(H,16,19).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
N-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 339.80 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 8965875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).