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

C15H12BrClN2O4 — CID 1177889

IUPAC(2R)-2-(3-bromophenoxy)-N-(4-chloro-3-nitrophenyl)propanamide
SMILESC[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12BrClN2O4/c1-9(23-12-4-2-3-10(16)7-12)15(20)18-11-5-6-13(17)14(8-11)19(21)22/h2-9H,1H3,(H,18,20)/t9-/m1/s1
InChIKeyUEBKCKZFKAMZKA-SECBINFHSA-N
MW399.63 g/mol
LogP4.42
Rot. Bonds5

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

(2R)-2-(3-bromophenoxy)-N-(4-chloro-3-nitrophenyl)propanamide (PubChem CID 1177889) has the molecular formula C15H12BrClN2O4 and a molecular weight of 399.63 g/mol. Its IUPAC name is (2R)-2-(3-bromophenoxy)-N-(4-chloro-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-bromophenoxy)-N-(4-chloro-3-nitrophenyl)propanamide
PubChem CID1177889
Molecular FormulaC15H12BrClN2O4
Molecular Weight399.63 g/mol
Exact Mass397.97
IUPAC Name(2R)-2-(3-bromophenoxy)-N-(4-chloro-3-nitrophenyl)propanamide
SMILESC[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12BrClN2O4/c1-9(23-12-4-2-3-10(16)7-12)15(20)18-11-5-6-13(17)14(8-11)19(21)22/h2-9H,1H3,(H,18,20)/t9-/m1/s1
InChIKeyUEBKCKZFKAMZKA-SECBINFHSA-N
XLogP4.42
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.63
LogP ≤ 54.42
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-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide
CID 5206007
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
(2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1177364
(2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 7090808
(2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7818352
2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 2793539
(2S)-2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-chloro-3-nitrophenyl)propanamide
CID 41251835
2-amino-N-(4-chloro-3-nitrophenyl)propanamide
CID 43708462
2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 13052549
N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide
CID 53267481
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenoxy)-N-(4-chloro-3-nitrophenyl)propanamide?
The IUPAC name of (2R)-2-(3-bromophenoxy)-N-(4-chloro-3-nitrophenyl)propanamide (CID 1177889) is (2R)-2-(3-bromophenoxy)-N-(4-chloro-3-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2-(3-bromophenoxy)-N-(4-chloro-3-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2-(3-bromophenoxy)-N-(4-chloro-3-nitrophenyl)propanamide is C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-(3-bromophenoxy)-N-(4-chloro-3-nitrophenyl)propanamide?
The InChIKey is UEBKCKZFKAMZKA-SECBINFHSA-N. The full InChI is InChI=1S/C15H12BrClN2O4/c1-9(23-12-4-2-3-10(16)7-12)15(20)18-11-5-6-13(17)14(8-11)19(21)22/h2-9H,1H3,(H,18,20)/t9-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenoxy)-N-(4-chloro-3-nitrophenyl)propanamide?
(2R)-2-(3-bromophenoxy)-N-(4-chloro-3-nitrophenyl)propanamide has a molecular weight of 399.63 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenoxy)-N-(4-chloro-3-nitrophenyl)propanamide is sourced from PubChem (CID 1177889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).