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

C11H13ClN4O4 — CID 62923477

IUPAC2-[(2-amino-2-oxoethyl)-[(4-chloro-3-nitrophenyl)methyl]amino]acetamide
SMILESNC(=O)CN(CC(N)=O)Cc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13ClN4O4/c12-8-2-1-7(3-9(8)16(19)20)4-15(5-10(13)17)6-11(14)18/h1-3H,4-6H2,(H2,13,17)(H2,14,18)
InChIKeyNWXQCNGVZUZNIN-UHFFFAOYSA-N
MW300.70 g/mol
LogP0.02
Rot. Bonds7

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

2-[(2-amino-2-oxoethyl)-[(4-chloro-3-nitrophenyl)methyl]amino]acetamide (PubChem CID 62923477) has the molecular formula C11H13ClN4O4 and a molecular weight of 300.70 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(4-chloro-3-nitrophenyl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(4-chloro-3-nitrophenyl)methyl]amino]acetamide
PubChem CID62923477
Molecular FormulaC11H13ClN4O4
Molecular Weight300.70 g/mol
Exact Mass300.06
IUPAC Name2-[(2-amino-2-oxoethyl)-[(4-chloro-3-nitrophenyl)methyl]amino]acetamide
SMILESNC(=O)CN(CC(N)=O)Cc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13ClN4O4/c12-8-2-1-7(3-9(8)16(19)20)4-15(5-10(13)17)6-11(14)18/h1-3H,4-6H2,(H2,13,17)(H2,14,18)
InChIKeyNWXQCNGVZUZNIN-UHFFFAOYSA-N
XLogP0.02
TPSA132.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 50.02
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-butyl-N-[(4-chloro-3-nitrophenyl)methyl]butan-1-amine
CID 43350299
2-[(4-amino-3-nitrophenyl)methyl-butylamino]acetamide
CID 62184585
2-chloro-3-(4-chloro-3-nitrophenyl)propanamide
CID 104513124
2-[butyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide
CID 62184589
N-(2-amino-2-oxoethyl)-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide
CID 61052640
1-(4-chloro-3-nitrophenyl)-3-(4-chlorophenyl)propan-2-one
CID 165048389
1-(4-chloro-3-nitrophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
CID 84748207
N-(4-chloro-3-nitrophenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide
CID 55446668
N-[(4-chloro-3-nitrophenyl)methyl]-2-methoxy-N-methylethanamine
CID 61427202
N,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide
CID 62923761
N-[(4-chloro-3-nitrophenyl)methyl]cyclopropanecarboxamide
CID 90019905
ethyl 2-[(4-chloro-3-nitrophenyl)methylsulfanyl]acetate
CID 43618243

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(4-chloro-3-nitrophenyl)methyl]amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(4-chloro-3-nitrophenyl)methyl]amino]acetamide (CID 62923477) is 2-[(2-amino-2-oxoethyl)-[(4-chloro-3-nitrophenyl)methyl]amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(4-chloro-3-nitrophenyl)methyl]amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(4-chloro-3-nitrophenyl)methyl]amino]acetamide is NC(=O)CN(CC(N)=O)Cc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(4-chloro-3-nitrophenyl)methyl]amino]acetamide?
The InChIKey is NWXQCNGVZUZNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O4/c12-8-2-1-7(3-9(8)16(19)20)4-15(5-10(13)17)6-11(14)18/h1-3H,4-6H2,(H2,13,17)(H2,14,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(4-chloro-3-nitrophenyl)methyl]amino]acetamide?
2-[(2-amino-2-oxoethyl)-[(4-chloro-3-nitrophenyl)methyl]amino]acetamide has a molecular weight of 300.70 g/mol, XLogP of 0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(4-chloro-3-nitrophenyl)methyl]amino]acetamide is sourced from PubChem (CID 62923477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).