N-(5-chloro-2-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide

C14H14ClN3O4 — CID 9334177

IUPACN-(5-chloro-2-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])Cc1ccco1
InChIInChI=1S/C14H14ClN3O4/c1-17(8-11-3-2-6-22-11)9-14(19)16-12-7-10(15)4-5-13(12)18(20)21/h2-7H,8-9H2,1H3,(H,16,19)
InChIKeyLJDHIMJTNRGYGJ-UHFFFAOYSA-N
MW323.74 g/mol
LogP2.91
Rot. Bonds6

About N-(5-chloro-2-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide

N-(5-chloro-2-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide (PubChem CID 9334177) has the molecular formula C14H14ClN3O4 and a molecular weight of 323.74 g/mol. Its IUPAC name is N-(5-chloro-2-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
PubChem CID9334177
Molecular FormulaC14H14ClN3O4
Molecular Weight323.74 g/mol
Exact Mass323.07
IUPAC NameN-(5-chloro-2-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])Cc1ccco1
InChIInChI=1S/C14H14ClN3O4/c1-17(8-11-3-2-6-22-11)9-14(19)16-12-7-10(15)4-5-13(12)18(20)21/h2-7H,8-9H2,1H3,(H,16,19)
InChIKeyLJDHIMJTNRGYGJ-UHFFFAOYSA-N
XLogP2.91
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 52.91
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-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide
CID 8841188
N-(2,3-dimethyl-6-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 8710505
N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251343
2-[[2-(5-chloro-2-nitroanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 9433109
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 9136571
2-[furan-2-ylmethyl(methyl)amino]-N-(2-iodophenyl)acetamide
CID 9334115
N-(5-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 43526619
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 9167118
N-(4,5-dimethyl-2-nitrophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677960
N-[4-(dimethylsulfamoyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9331913
N-(4-chloro-2-nitrophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433855
N-(4-chlorophenyl)-2-[[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167207

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide?
The IUPAC name of N-(5-chloro-2-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide (CID 9334177) is N-(5-chloro-2-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide?
The canonical SMILES for N-(5-chloro-2-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide is CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])Cc1ccco1.
What is the InChIKey of N-(5-chloro-2-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide?
The InChIKey is LJDHIMJTNRGYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4/c1-17(8-11-3-2-6-22-11)9-14(19)16-12-7-10(15)4-5-13(12)18(20)21/h2-7H,8-9H2,1H3,(H,16,19).
What are the key properties of N-(5-chloro-2-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide?
N-(5-chloro-2-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide has a molecular weight of 323.74 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide is sourced from PubChem (CID 9334177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).