N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide

C10H11BrClNO2 — CID 114307431

IUPACN-(3-bromopropyl)-5-chloro-2-hydroxybenzamide
SMILESO=C(NCCCBr)c1cc(Cl)ccc1O
InChIInChI=1S/C10H11BrClNO2/c11-4-1-5-13-10(15)8-6-7(12)2-3-9(8)14/h2-3,6,14H,1,4-5H2,(H,13,15)
InChIKeyUNQHIZNTARXMLF-UHFFFAOYSA-N
MW292.56 g/mol
LogP2.56
Rot. Bonds4

About N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide

N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide (PubChem CID 114307431) has the molecular formula C10H11BrClNO2 and a molecular weight of 292.56 g/mol. Its IUPAC name is N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-5-chloro-2-hydroxybenzamide
PubChem CID114307431
Molecular FormulaC10H11BrClNO2
Molecular Weight292.56 g/mol
Exact Mass290.97
IUPAC NameN-(3-bromopropyl)-5-chloro-2-hydroxybenzamide
SMILESO=C(NCCCBr)c1cc(Cl)ccc1O
InChIInChI=1S/C10H11BrClNO2/c11-4-1-5-13-10(15)8-6-7(12)2-3-9(8)14/h2-3,6,14H,1,4-5H2,(H,13,15)
InChIKeyUNQHIZNTARXMLF-UHFFFAOYSA-N
XLogP2.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 52.56
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

5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide
CID 43601629
ethyl 4-[(5-chloro-2-hydroxybenzoyl)amino]butanoate
CID 60520407
2-bromo-N-(6-bromohexyl)-5-chlorobenzamide
CID 114026635
N-(6-bromohexyl)-5-chloro-2-methylbenzamide
CID 107847963
N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide
CID 114307488
2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid
CID 15858288
5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide
CID 31852388
6-bromo-1-(5-chloro-2-hydroxyphenyl)hexan-1-one
CID 18931145
7-bromo-1-(5-chloro-2-hydroxyphenyl)heptan-1-one
CID 18931140
2,5-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540057
2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide
CID 114007983
8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid
CID 175912577

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide (CID 114307431) is N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide is O=C(NCCCBr)c1cc(Cl)ccc1O.
What is the InChIKey of N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide?
The InChIKey is UNQHIZNTARXMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2/c11-4-1-5-13-10(15)8-6-7(12)2-3-9(8)14/h2-3,6,14H,1,4-5H2,(H,13,15).
What are the key properties of N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide?
N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide has a molecular weight of 292.56 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 114307431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).