N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide

C11H13BrClNO2 — CID 106845855

IUPACN-(4-bromobutyl)-3-chloro-4-hydroxybenzamide
SMILESO=C(NCCCCBr)c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H13BrClNO2/c12-5-1-2-6-14-11(16)8-3-4-10(15)9(13)7-8/h3-4,7,15H,1-2,5-6H2,(H,14,16)
InChIKeySKVJMODALCXBGD-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.95
Rot. Bonds5

About N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide

N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide (PubChem CID 106845855) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-bromobutyl)-3-chloro-4-hydroxybenzamide
PubChem CID106845855
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC NameN-(4-bromobutyl)-3-chloro-4-hydroxybenzamide
SMILESO=C(NCCCCBr)c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H13BrClNO2/c12-5-1-2-6-14-11(16)8-3-4-10(15)9(13)7-8/h3-4,7,15H,1-2,5-6H2,(H,14,16)
InChIKeySKVJMODALCXBGD-UHFFFAOYSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.95
H-Bond Donors ≤ 52
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

3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide
CID 106846289
3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide
CID 114293588
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide
CID 62666300
3-chloro-4-hydroxybenzohydrazide
CID 10954268
N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide
CID 107321908
3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide
CID 62634789
N-(5-bromopentyl)-3,5-dichlorobenzamide
CID 107322072
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
3,4-dichloro-N-(5-chloropentyl)benzamide
CID 107320915
N-(4-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81290247
N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide
CID 114307431
N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide
CID 114311603

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide?
The IUPAC name of N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide (CID 106845855) is N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide.
What is the SMILES notation for N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide?
The canonical SMILES for N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide is O=C(NCCCCBr)c1ccc(O)c(Cl)c1.
What is the InChIKey of N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide?
The InChIKey is SKVJMODALCXBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c12-5-1-2-6-14-11(16)8-3-4-10(15)9(13)7-8/h3-4,7,15H,1-2,5-6H2,(H,14,16).
What are the key properties of N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide?
N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide has a molecular weight of 306.59 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide is sourced from PubChem (CID 106845855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).