5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide

C12H15BrClNO2 — CID 103601683

IUPAC5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCCCBr
InChIInChI=1S/C12H15BrClNO2/c1-17-11-6-5-9(14)8-10(11)15-12(16)4-2-3-7-13/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyBYFULOIGBSYUOM-UHFFFAOYSA-N
MW320.61 g/mol
LogP3.85
Rot. Bonds6

About 5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide

5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide (PubChem CID 103601683) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is 5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide
PubChem CID103601683
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCCCBr
InChIInChI=1S/C12H15BrClNO2/c1-17-11-6-5-9(14)8-10(11)15-12(16)4-2-3-7-13/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyBYFULOIGBSYUOM-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(5-bromopentanoylamino)-4-chlorobenzoate
CID 107907432
N-(5-chloro-2-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55906615
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide
CID 39753632
pentyl 5-(5-chloro-2-methoxyanilino)-5-oxopentanoate
CID 91722639
5-bromo-1-(5-chloro-2-methoxyphenyl)pentan-1-one
CID 146005779
N-(5-chloro-2-methoxyphenyl)-4-(4-methoxy-3-methylphenyl)butanamide
CID 838505
nonyl 5-(5-chloro-2-methoxyanilino)-5-oxopentanoate
CID 91722643
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 1337784
ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 9073367

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide?
The IUPAC name of 5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide (CID 103601683) is 5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide?
The canonical SMILES for 5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide is COc1ccc(Cl)cc1NC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide?
The InChIKey is BYFULOIGBSYUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c1-17-11-6-5-9(14)8-10(11)15-12(16)4-2-3-7-13/h5-6,8H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide?
5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide has a molecular weight of 320.61 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide is sourced from PubChem (CID 103601683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).