5-bromo-N-heptyl-2-methoxybenzamide

C15H22BrNO2 — CID 17094234

IUPAC5-bromo-N-heptyl-2-methoxybenzamide
SMILESCCCCCCCNC(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C15H22BrNO2/c1-3-4-5-6-7-10-17-15(18)13-11-12(16)8-9-14(13)19-2/h8-9,11H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyXIPCQZMWHRCARI-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.16
Rot. Bonds8

About 5-bromo-N-heptyl-2-methoxybenzamide

5-bromo-N-heptyl-2-methoxybenzamide (PubChem CID 17094234) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 5-bromo-N-heptyl-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-heptyl-2-methoxybenzamide
PubChem CID17094234
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name5-bromo-N-heptyl-2-methoxybenzamide
SMILESCCCCCCCNC(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C15H22BrNO2/c1-3-4-5-6-7-10-17-15(18)13-11-12(16)8-9-14(13)19-2/h8-9,11H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyXIPCQZMWHRCARI-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.16
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

5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
5-bromo-N-hexadecyl-2-propoxybenzamide
CID 17351360
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
methyl 4-[(5-bromo-2-methoxybenzoyl)amino]butanoate
CID 113241279
5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide
CID 17350650
N-hexyl-2,4,5-trimethoxybenzamide
CID 32646107
2-methoxy-N-tridecylbenzamide
CID 139819873
5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide
CID 110611985
3-(hexylcarbamoyl)-4-methoxybenzenesulfonyl chloride
CID 65398804
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952
N-butyl-5-iodo-2-methoxybenzamide
CID 132553879
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-heptyl-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-heptyl-2-methoxybenzamide (CID 17094234) is 5-bromo-N-heptyl-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-heptyl-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-heptyl-2-methoxybenzamide is CCCCCCCNC(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-N-heptyl-2-methoxybenzamide?
The InChIKey is XIPCQZMWHRCARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-4-5-6-7-10-17-15(18)13-11-12(16)8-9-14(13)19-2/h8-9,11H,3-7,10H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-heptyl-2-methoxybenzamide?
5-bromo-N-heptyl-2-methoxybenzamide has a molecular weight of 328.25 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-heptyl-2-methoxybenzamide is sourced from PubChem (CID 17094234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).