N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide

C18H19BrN2O4 — CID 8563423

IUPACN-[(1R)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCC[C@@H](NC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O4/c1-3-15(13-5-7-14(19)8-6-13)20-18(22)11-25-17-9-4-12(2)10-16(17)21(23)24/h4-10,15H,3,11H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyJZZZFJSOWAHPNZ-OAHLLOKOSA-N
MW407.26 g/mol
LogP4.31
Rot. Bonds7

About N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide

N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide (PubChem CID 8563423) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide
PubChem CID8563423
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC NameN-[(1R)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCC[C@@H](NC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O4/c1-3-15(13-5-7-14(19)8-6-13)20-18(22)11-25-17-9-4-12(2)10-16(17)21(23)24/h4-10,15H,3,11H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyJZZZFJSOWAHPNZ-OAHLLOKOSA-N
XLogP4.31
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
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

N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8563411
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 7865822
N-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide
CID 46448423
4-ethoxy-N-[1-(4-methylphenyl)propyl]-3-nitrobenzamide
CID 84999684
2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 46764494
2-(2,4-dimethylphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328158
2-(4-methyl-2-nitrophenoxy)acetamide
CID 8538614
2-(2,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100761254
N-(3-ethylpent-1-yn-3-yl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 18202165
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814195
2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 28958551
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-nitrobenzoate
CID 7864378

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide (CID 8563423) is N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide is CC[C@@H](NC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide?
The InChIKey is JZZZFJSOWAHPNZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-3-15(13-5-7-14(19)8-6-13)20-18(22)11-25-17-9-4-12(2)10-16(17)21(23)24/h4-10,15H,3,11H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide?
N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide has a molecular weight of 407.26 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide is sourced from PubChem (CID 8563423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).