2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-(3-nitrophenyl)acetamide

C16H15F2N3O3 — CID 9376830

IUPAC2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-(3-nitrophenyl)acetamide
SMILESC[C@@H](NCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2N3O3/c1-10(11-5-6-14(17)15(18)7-11)19-9-16(22)20-12-3-2-4-13(8-12)21(23)24/h2-8,10,19H,9H2,1H3,(H,20,22)/t10-/m1/s1
InChIKeyYANIQZOAQGCKDS-SNVBAGLBSA-N
MW335.31 g/mol
LogP3.16
Rot. Bonds6

About 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-(3-nitrophenyl)acetamide

2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-(3-nitrophenyl)acetamide (PubChem CID 9376830) has the molecular formula C16H15F2N3O3 and a molecular weight of 335.31 g/mol. Its IUPAC name is 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-(3-nitrophenyl)acetamide
PubChem CID9376830
Molecular FormulaC16H15F2N3O3
Molecular Weight335.31 g/mol
Exact Mass335.11
IUPAC Name2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-(3-nitrophenyl)acetamide
SMILESC[C@@H](NCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2N3O3/c1-10(11-5-6-14(17)15(18)7-11)19-9-16(22)20-12-3-2-4-13(8-12)21(23)24/h2-8,10,19H,9H2,1H3,(H,20,22)/t10-/m1/s1
InChIKeyYANIQZOAQGCKDS-SNVBAGLBSA-N
XLogP3.16
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 9376532
3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide
CID 8638827
N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376286
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
CID 78289102
N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376760
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 9336360
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9377140
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9376391
3-methyl-N-(3-nitrophenyl)butanamide
CID 4312967
N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide
CID 8933282

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-(3-nitrophenyl)acetamide (CID 9376830) is 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-(3-nitrophenyl)acetamide is C[C@@H](NCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-(3-nitrophenyl)acetamide?
The InChIKey is YANIQZOAQGCKDS-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15F2N3O3/c1-10(11-5-6-14(17)15(18)7-11)19-9-16(22)20-12-3-2-4-13(8-12)21(23)24/h2-8,10,19H,9H2,1H3,(H,20,22)/t10-/m1/s1.
What are the key properties of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-(3-nitrophenyl)acetamide?
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-(3-nitrophenyl)acetamide has a molecular weight of 335.31 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 9376830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).