4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide

C16H15BrClNO2 — CID 3674961

IUPAC4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide
SMILESO=C(CCCOc1ccc(Br)cc1)Nc1ccccc1Cl
InChIInChI=1S/C16H15BrClNO2/c17-12-7-9-13(10-8-12)21-11-3-6-16(20)19-15-5-2-1-4-14(15)18/h1-2,4-5,7-10H,3,6,11H2,(H,19,20)
InChIKeyXQIZHMJSUOYMDX-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.90
Rot. Bonds6

About 4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide

4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide (PubChem CID 3674961) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide
PubChem CID3674961
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide
SMILESO=C(CCCOc1ccc(Br)cc1)Nc1ccccc1Cl
InChIInChI=1S/C16H15BrClNO2/c17-12-7-9-13(10-8-12)21-11-3-6-16(20)19-15-5-2-1-4-14(15)18/h1-2,4-5,7-10H,3,6,11H2,(H,19,20)
InChIKeyXQIZHMJSUOYMDX-UHFFFAOYSA-N
XLogP4.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenoxy)-N-(3-chloro-2-methylphenyl)butanamide
CID 18292221
4-(4-chlorophenoxy)-N-[(2-chlorophenyl)carbamothioyl]butanamide
CID 19188853
4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide
CID 7900115
N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46534875
N-(2-chlorophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 109031126
4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide
CID 26360943
4-(4-bromophenoxy)-N-(2,4-difluorophenyl)butanamide
CID 3411864
4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide
CID 2666396
N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide
CID 82034361
4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 4501866
4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide
CID 27700039
N-(2-chlorophenyl)hexanamide
CID 4644560

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide?
The IUPAC name of 4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide (CID 3674961) is 4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide.
What is the SMILES notation for 4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide?
The canonical SMILES for 4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide is O=C(CCCOc1ccc(Br)cc1)Nc1ccccc1Cl.
What is the InChIKey of 4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide?
The InChIKey is XQIZHMJSUOYMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c17-12-7-9-13(10-8-12)21-11-3-6-16(20)19-15-5-2-1-4-14(15)18/h1-2,4-5,7-10H,3,6,11H2,(H,19,20).
What are the key properties of 4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide?
4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide has a molecular weight of 368.66 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide is sourced from PubChem (CID 3674961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).