(2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide

C16H15BrN2O5 — CID 7090808

IUPAC(2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H15BrN2O5/c1-10(24-13-5-3-4-11(17)8-13)16(20)18-14-7-6-12(23-2)9-15(14)19(21)22/h3-10H,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyUMHYMNKQXXWCPF-SNVBAGLBSA-N
MW395.21 g/mol
LogP3.77
Rot. Bonds6

About (2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide

(2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide (PubChem CID 7090808) has the molecular formula C16H15BrN2O5 and a molecular weight of 395.21 g/mol. Its IUPAC name is (2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
PubChem CID7090808
Molecular FormulaC16H15BrN2O5
Molecular Weight395.21 g/mol
Exact Mass394.02
IUPAC Name(2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H15BrN2O5/c1-10(24-13-5-3-4-11(17)8-13)16(20)18-14-7-6-12(23-2)9-15(14)19(21)22/h3-10H,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyUMHYMNKQXXWCPF-SNVBAGLBSA-N
XLogP3.77
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.21
LogP ≤ 53.77
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

[1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 55419429
(2R)-2-(2-bromo-4-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 8728702
(2R)-N-(4-bromo-2-nitrophenyl)-2-methoxypropanamide
CID 177353774
(2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941065
2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 2793539
2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide
CID 2953745
N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide
CID 60676291
(2R)-2-(3-bromophenoxy)-N-(4-chloro-3-nitrophenyl)propanamide
CID 1177889
(2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 95079877
4-(4-methoxy-2-nitroanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496515
3-bromo-N-[(4-methoxy-2-nitrophenyl)carbamothioyl]benzamide
CID 54791565
(2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide
CID 7453838

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide?
The IUPAC name of (2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide (CID 7090808) is (2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide is COc1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)c([N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide?
The InChIKey is UMHYMNKQXXWCPF-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15BrN2O5/c1-10(24-13-5-3-4-11(17)8-13)16(20)18-14-7-6-12(23-2)9-15(14)19(21)22/h3-10H,1-2H3,(H,18,20)/t10-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide?
(2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide has a molecular weight of 395.21 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide is sourced from PubChem (CID 7090808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).