N-(4,5-dimethyl-2-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide

C19H22FN3O4 — CID 9431761

IUPACN-(4,5-dimethyl-2-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1F
InChIInChI=1S/C19H22FN3O4/c1-12-7-16(17(23(25)26)8-13(12)2)21-19(24)11-22(3)10-14-5-6-18(27-4)15(20)9-14/h5-9H,10-11H2,1-4H3,(H,21,24)
InChIKeyMGOCZVGDUNJVCP-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.43
Rot. Bonds7

About N-(4,5-dimethyl-2-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide

N-(4,5-dimethyl-2-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide (PubChem CID 9431761) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-(4,5-dimethyl-2-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-2-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
PubChem CID9431761
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC NameN-(4,5-dimethyl-2-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1F
InChIInChI=1S/C19H22FN3O4/c1-12-7-16(17(23(25)26)8-13(12)2)21-19(24)11-22(3)10-14-5-6-18(27-4)15(20)9-14/h5-9H,10-11H2,1-4H3,(H,21,24)
InChIKeyMGOCZVGDUNJVCP-UHFFFAOYSA-N
XLogP3.43
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.43
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

N-(4-chloro-3-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 39778498
N-(5-chloro-2-fluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432683
N-(4-bromo-3-methylphenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9431404
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-hydroxyphenyl)acetamide
CID 18124502
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 18085894
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9054049
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 18127200
N-(4-chlorophenyl)-2-[[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167207
N-(3,4-dichlorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432773
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)-3-nitrobenzamide
CID 18192698
ethyl 5-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 18127205
N-(5-fluoro-4-methoxy-2-nitrophenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 126828969

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-2-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(4,5-dimethyl-2-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide (CID 9431761) is N-(4,5-dimethyl-2-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(4,5-dimethyl-2-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(4,5-dimethyl-2-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide is COc1ccc(CN(C)CC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1F.
What is the InChIKey of N-(4,5-dimethyl-2-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is MGOCZVGDUNJVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-12-7-16(17(23(25)26)8-13(12)2)21-19(24)11-22(3)10-14-5-6-18(27-4)15(20)9-14/h5-9H,10-11H2,1-4H3,(H,21,24).
What are the key properties of N-(4,5-dimethyl-2-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide?
N-(4,5-dimethyl-2-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 375.40 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-2-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 9431761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).