3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide

C16H15BrClNO2 — CID 107952345

IUPAC3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide
SMILESO=C(NCCCOc1ccccc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H15BrClNO2/c17-13-9-12(10-14(18)11-13)16(20)19-7-4-8-21-15-5-2-1-3-6-15/h1-3,5-6,9-11H,4,7-8H2,(H,19,20)
InChIKeyHANCITSVNVJEDJ-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.30
Rot. Bonds6

About 3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide

3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide (PubChem CID 107952345) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide
PubChem CID107952345
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide
SMILESO=C(NCCCOc1ccccc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H15BrClNO2/c17-13-9-12(10-14(18)11-13)16(20)19-7-4-8-21-15-5-2-1-3-6-15/h1-3,5-6,9-11H,4,7-8H2,(H,19,20)
InChIKeyHANCITSVNVJEDJ-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
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

3,5-dibromo-N-(3-phenoxypropyl)benzamide
CID 107980421
3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107342962
N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide
CID 110609883
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide
CID 103826764
4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide
CID 26903822
2,5-dibromo-N-(2-phenoxyethyl)benzamide
CID 114372083
N-[2-(4-aminophenoxy)ethyl]-3,5-dibromobenzamide
CID 107971002
N-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide
CID 61031479
3-bromo-5-chloro-N-hex-5-ynylbenzamide
CID 103827024
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 107952730

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide (CID 107952345) is 3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide is O=C(NCCCOc1ccccc1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide?
The InChIKey is HANCITSVNVJEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c17-13-9-12(10-14(18)11-13)16(20)19-7-4-8-21-15-5-2-1-3-6-15/h1-3,5-6,9-11H,4,7-8H2,(H,19,20).
What are the key properties of 3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide?
3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide has a molecular weight of 368.66 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide is sourced from PubChem (CID 107952345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).