N-[2-(3-aminopropyl)-3-chloro-6-hydroxyphenyl]acetamide

C11H15ClN2O2 — CID 117358835

IUPACN-[2-(3-aminopropyl)-3-chloro-6-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1c(O)ccc(Cl)c1CCCN
InChIInChI=1S/C11H15ClN2O2/c1-7(15)14-11-8(3-2-6-13)9(12)4-5-10(11)16/h4-5,16H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyUCCYWCMBUWQUCH-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.90
Rot. Bonds4

About N-[2-(3-aminopropyl)-3-chloro-6-hydroxyphenyl]acetamide

N-[2-(3-aminopropyl)-3-chloro-6-hydroxyphenyl]acetamide (PubChem CID 117358835) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is N-[2-(3-aminopropyl)-3-chloro-6-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-aminopropyl)-3-chloro-6-hydroxyphenyl]acetamide
PubChem CID117358835
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC NameN-[2-(3-aminopropyl)-3-chloro-6-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1c(O)ccc(Cl)c1CCCN
InChIInChI=1S/C11H15ClN2O2/c1-7(15)14-11-8(3-2-6-13)9(12)4-5-10(11)16/h4-5,16H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyUCCYWCMBUWQUCH-UHFFFAOYSA-N
XLogP1.90
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-acetamido-6-chloro-3-hydroxyphenyl)methanesulfonyl chloride
CID 117479727
3-(3-aminopropyl)-4-chloro-2-fluorophenol
CID 84777605
N-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide
CID 117389843
N-[3-chloro-2-(3-hydroxypropyl)-6-methoxyphenyl]acetamide
CID 117397884
4-(2-acetamido-6-chloro-3-methoxyphenyl)butanoic acid
CID 117460217
2-(3-aminopropyl)-3-chloro-4-fluorophenol
CID 83881714
methyl 2-(2-acetamido-6-chloro-3-hydroxyphenyl)-2-hydroxyacetate
CID 117436897
3-(2-acetamido-6-chloro-3-hydroxyphenyl)-3-methylbutanoic acid
CID 117460212
2-(3-aminopropyl)-3-bromo-4-methylphenol
CID 84802468
2-(2-aminoethyl)-3-chloro-4-methylphenol
CID 84769890
N-(6-chloro-2-fluoro-3-methylphenyl)acetamide
CID 67957585
N-[3-chloro-6-(hydroxymethyl)-2-methylphenyl]acetamide
CID 22890268

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopropyl)-3-chloro-6-hydroxyphenyl]acetamide?
The IUPAC name of N-[2-(3-aminopropyl)-3-chloro-6-hydroxyphenyl]acetamide (CID 117358835) is N-[2-(3-aminopropyl)-3-chloro-6-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[2-(3-aminopropyl)-3-chloro-6-hydroxyphenyl]acetamide?
The canonical SMILES for N-[2-(3-aminopropyl)-3-chloro-6-hydroxyphenyl]acetamide is CC(=O)Nc1c(O)ccc(Cl)c1CCCN.
What is the InChIKey of N-[2-(3-aminopropyl)-3-chloro-6-hydroxyphenyl]acetamide?
The InChIKey is UCCYWCMBUWQUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7(15)14-11-8(3-2-6-13)9(12)4-5-10(11)16/h4-5,16H,2-3,6,13H2,1H3,(H,14,15).
What are the key properties of N-[2-(3-aminopropyl)-3-chloro-6-hydroxyphenyl]acetamide?
N-[2-(3-aminopropyl)-3-chloro-6-hydroxyphenyl]acetamide has a molecular weight of 242.71 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopropyl)-3-chloro-6-hydroxyphenyl]acetamide is sourced from PubChem (CID 117358835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).