3-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide

C18H20FN3O4 — CID 33478730

IUPAC3-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cccc(F)c1
InChIInChI=1S/C18H20FN3O4/c1-21(12-13-4-3-5-14(19)10-13)9-8-18(23)20-16-11-15(22(24)25)6-7-17(16)26-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,23)
InChIKeyONZNFOYQXSSINQ-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.20
Rot. Bonds8

About 3-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide

3-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide (PubChem CID 33478730) has the molecular formula C18H20FN3O4 and a molecular weight of 361.37 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
PubChem CID33478730
Molecular FormulaC18H20FN3O4
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name3-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cccc(F)c1
InChIInChI=1S/C18H20FN3O4/c1-21(12-13-4-3-5-14(19)10-13)9-8-18(23)20-16-11-15(22(24)25)6-7-17(16)26-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,23)
InChIKeyONZNFOYQXSSINQ-UHFFFAOYSA-N
XLogP3.20
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.20
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

3-[benzyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 4285905
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 3-fluorobenzoate
CID 8612605
3-[[3-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2-methyl-5-nitrophenyl)propanamide
CID 47550721
2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 100698766
N-(5-fluoro-2-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 110776591
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
3-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 60510599
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8961793
N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181026
2-(4-fluoroanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9098658
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 84568615
7-amino-N-(2-methoxy-5-nitrophenyl)heptanamide
CID 43426912

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide?
The IUPAC name of 3-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide (CID 33478730) is 3-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide?
The canonical SMILES for 3-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide?
The InChIKey is ONZNFOYQXSSINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4/c1-21(12-13-4-3-5-14(19)10-13)9-8-18(23)20-16-11-15(22(24)25)6-7-17(16)26-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,23).
What are the key properties of 3-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide?
3-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide has a molecular weight of 361.37 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide is sourced from PubChem (CID 33478730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).