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

C16H15BrClNO2 — CID 7900115

IUPAC4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide
SMILESO=C(CCCOc1ccc(Br)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15BrClNO2/c17-12-6-8-15(9-7-12)21-10-2-5-16(20)19-14-4-1-3-13(18)11-14/h1,3-4,6-9,11H,2,5,10H2,(H,19,20)
InChIKeyXURZESIAOUGVCQ-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.90
Rot. Bonds6

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

4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide (PubChem CID 7900115) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide
PubChem CID7900115
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide
SMILESO=C(CCCOc1ccc(Br)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15BrClNO2/c17-12-6-8-15(9-7-12)21-10-2-5-16(20)19-14-4-1-3-13(18)11-14/h1,3-4,6-9,11H,2,5,10H2,(H,19,20)
InChIKeyXURZESIAOUGVCQ-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

N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide
CID 2709974
N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207322
4-(4-bromophenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 5032574
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide
CID 27700039
3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide
CID 2408222
N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide
CID 19173838
4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide
CID 3674961
1-(3-chlorophenyl)-3-[4-(4-ethoxyphenoxy)butanoylamino]thiourea
CID 9480177
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4174963

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide?
The IUPAC name of 4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide (CID 7900115) is 4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide.
What is the SMILES notation for 4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide?
The canonical SMILES for 4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide is O=C(CCCOc1ccc(Br)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of 4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide?
The InChIKey is XURZESIAOUGVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c17-12-6-8-15(9-7-12)21-10-2-5-16(20)19-14-4-1-3-13(18)11-14/h1,3-4,6-9,11H,2,5,10H2,(H,19,20).
What are the key properties of 4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide?
4-(4-bromophenoxy)-N-(3-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-(3-chlorophenyl)butanamide is sourced from PubChem (CID 7900115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).