4-(3-bromophenoxy)-N-(3-nitrophenyl)butanamide

C16H15BrN2O4 — CID 7965665

IUPAC4-(3-bromophenoxy)-N-(3-nitrophenyl)butanamide
SMILESO=C(CCCOc1cccc(Br)c1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H15BrN2O4/c17-12-4-1-7-15(10-12)23-9-3-8-16(20)18-13-5-2-6-14(11-13)19(21)22/h1-2,4-7,10-11H,3,8-9H2,(H,18,20)
InChIKeyJLOYROBDDGHAJB-UHFFFAOYSA-N
MW379.21 g/mol
LogP4.16
Rot. Bonds7

About 4-(3-bromophenoxy)-N-(3-nitrophenyl)butanamide

4-(3-bromophenoxy)-N-(3-nitrophenyl)butanamide (PubChem CID 7965665) has the molecular formula C16H15BrN2O4 and a molecular weight of 379.21 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-N-(3-nitrophenyl)butanamide.

Molecular Properties

Compound Name4-(3-bromophenoxy)-N-(3-nitrophenyl)butanamide
PubChem CID7965665
Molecular FormulaC16H15BrN2O4
Molecular Weight379.21 g/mol
Exact Mass378.02
IUPAC Name4-(3-bromophenoxy)-N-(3-nitrophenyl)butanamide
SMILESO=C(CCCOc1cccc(Br)c1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H15BrN2O4/c17-12-4-1-7-15(10-12)23-9-3-8-16(20)18-13-5-2-6-14(11-13)19(21)22/h1-2,4-7,10-11H,3,8-9H2,(H,18,20)
InChIKeyJLOYROBDDGHAJB-UHFFFAOYSA-N
XLogP4.16
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-bromophenoxy)-N-[3-(3-cyanopropoxy)phenyl]butanamide
CID 55878833
3-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)propanamide
CID 26576342
[2-(3-nitroanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7167500
3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide
CID 26579539
N-(3-bromophenyl)-4-(4-nitroanilino)butanamide
CID 29199698
4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670737
N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide
CID 19173838
4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide
CID 8698575
3-[(4-bromophenyl)carbamoylamino]-N-(3-nitrophenyl)propanamide
CID 55773716
2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide
CID 71696136
6-(3-bromophenoxy)-N-(2-fluoro-4-pyridinyl)hexanamide
CID 118730983
[2-(3-methylanilino)-2-oxoethyl] 4-(3-bromophenoxy)butanoate
CID 7212127

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-N-(3-nitrophenyl)butanamide?
The IUPAC name of 4-(3-bromophenoxy)-N-(3-nitrophenyl)butanamide (CID 7965665) is 4-(3-bromophenoxy)-N-(3-nitrophenyl)butanamide.
What is the SMILES notation for 4-(3-bromophenoxy)-N-(3-nitrophenyl)butanamide?
The canonical SMILES for 4-(3-bromophenoxy)-N-(3-nitrophenyl)butanamide is O=C(CCCOc1cccc(Br)c1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-(3-bromophenoxy)-N-(3-nitrophenyl)butanamide?
The InChIKey is JLOYROBDDGHAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O4/c17-12-4-1-7-15(10-12)23-9-3-8-16(20)18-13-5-2-6-14(11-13)19(21)22/h1-2,4-7,10-11H,3,8-9H2,(H,18,20).
What are the key properties of 4-(3-bromophenoxy)-N-(3-nitrophenyl)butanamide?
4-(3-bromophenoxy)-N-(3-nitrophenyl)butanamide has a molecular weight of 379.21 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-N-(3-nitrophenyl)butanamide is sourced from PubChem (CID 7965665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).