(2R)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide

C16H15BrN2O5 — CID 7931785

IUPAC(2R)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O5/c1-10(16(20)18-12-5-3-11(17)4-6-12)24-15-9-13(19(21)22)7-8-14(15)23-2/h3-10H,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyAFSWCISMSVOTFS-SNVBAGLBSA-N
MW395.21 g/mol
LogP3.77
Rot. Bonds6

About (2R)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide

(2R)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide (PubChem CID 7931785) has the molecular formula C16H15BrN2O5 and a molecular weight of 395.21 g/mol. Its IUPAC name is (2R)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
PubChem CID7931785
Molecular FormulaC16H15BrN2O5
Molecular Weight395.21 g/mol
Exact Mass394.02
IUPAC Name(2R)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O5/c1-10(16(20)18-12-5-3-11(17)4-6-12)24-15-9-13(19(21)22)7-8-14(15)23-2/h3-10H,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyAFSWCISMSVOTFS-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

(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide
CID 8947121
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947242
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8956878
(2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947249
(2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 7931796
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)propanamide
CID 8956892
(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7931851
(2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947062
(2S)-N-(2,4-dimethylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947097
2-(2-bromo-4-chlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 4981359
N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 46650196
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7865944

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide (CID 7931785) is (2R)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide is COc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of (2R)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide?
The InChIKey is AFSWCISMSVOTFS-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15BrN2O5/c1-10(16(20)18-12-5-3-11(17)4-6-12)24-15-9-13(19(21)22)7-8-14(15)23-2/h3-10H,1-2H3,(H,18,20)/t10-/m1/s1.
What are the key properties of (2R)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide?
(2R)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)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)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide is sourced from PubChem (CID 7931785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).