N-(furan-2-ylmethyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C18H20F3N3O4 — CID 47011175

IUPACN-(furan-2-ylmethyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C18H20F3N3O4/c1-13(14-5-3-6-15(9-14)24(26)27)22(2)11-17(25)23(12-18(19,20)21)10-16-7-4-8-28-16/h3-9,13H,10-12H2,1-2H3
InChIKeyQYURXZZJNIILIQ-UHFFFAOYSA-N
MW399.37 g/mol
LogP3.77
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

N-(furan-2-ylmethyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 47011175) has the molecular formula C18H20F3N3O4 and a molecular weight of 399.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID47011175
Molecular FormulaC18H20F3N3O4
Molecular Weight399.37 g/mol
Exact Mass399.14
IUPAC NameN-(furan-2-ylmethyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C18H20F3N3O4/c1-13(14-5-3-6-15(9-14)24(26)27)22(2)11-17(25)23(12-18(19,20)21)10-16-7-4-8-28-16/h3-9,13H,10-12H2,1-2H3
InChIKeyQYURXZZJNIILIQ-UHFFFAOYSA-N
XLogP3.77
TPSA79.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
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'}

Analyze N-(furan-2-ylmethyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[furan-2-ylmethyl-[2-[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]acetyl]amino]-N-phenylacetamide
CID 51556441
N-(furan-2-ylmethyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]propanamide
CID 47011162
3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-(3-nitrophenyl)ethyl]thiourea
CID 8560936
N-(furan-2-ylmethyl)-2-[methyl(naphthalen-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60572800
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[methyl-[(1S)-1-(3-nitrophenyl)ethyl]amino]acetamide
CID 92514415
2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2-methyl-1-phenylpropyl)acetamide
CID 24568213
2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42937133
3-[methyl-[(1S)-1-(3-nitrophenyl)ethyl]amino]propanoic acid
CID 124545248
(3S)-4,4,4-trifluoro-3-hydroxy-N,3-dimethyl-N-[(1R)-1-(3-nitrophenyl)ethyl]butanamide
CID 9076650
3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62728690
N-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 134032635
2-[carboxymethyl-[1-(3-nitrophenyl)ethyl]amino]acetic acid
CID 65065601

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 47011175) is N-(furan-2-ylmethyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is CC(c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(Cc1ccco1)CC(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QYURXZZJNIILIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O4/c1-13(14-5-3-6-15(9-14)24(26)27)22(2)11-17(25)23(12-18(19,20)21)10-16-7-4-8-28-16/h3-9,13H,10-12H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
N-(furan-2-ylmethyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 399.37 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 47011175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).