3-amino-N-(3-chloro-2-methoxyphenyl)propanamide

C10H13ClN2O2 — CID 119280772

IUPAC3-amino-N-(3-chloro-2-methoxyphenyl)propanamide
SMILESCOc1c(Cl)cccc1NC(=O)CCN
InChIInChI=1S/C10H13ClN2O2/c1-15-10-7(11)3-2-4-8(10)13-9(14)5-6-12/h2-4H,5-6,12H2,1H3,(H,13,14)
InChIKeyUUQSWLJAMZDYNF-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.64
Rot. Bonds4

About 3-amino-N-(3-chloro-2-methoxyphenyl)propanamide

3-amino-N-(3-chloro-2-methoxyphenyl)propanamide (PubChem CID 119280772) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-2-methoxyphenyl)propanamide
PubChem CID119280772
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name3-amino-N-(3-chloro-2-methoxyphenyl)propanamide
SMILESCOc1c(Cl)cccc1NC(=O)CCN
InChIInChI=1S/C10H13ClN2O2/c1-15-10-7(11)3-2-4-8(10)13-9(14)5-6-12/h2-4H,5-6,12H2,1H3,(H,13,14)
InChIKeyUUQSWLJAMZDYNF-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-N-(3-chloro-2-fluorophenyl)propanamide
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N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide
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6-amino-N-(3-chloro-2-methylphenyl)hexanamide
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N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
(3-chloro-2-methoxyphenyl)hydrazine;hydrochloride
CID 138619398
4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide
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5-amino-N-(2-bromo-3-chlorophenyl)pentanamide
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CID 111103686

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-2-methoxyphenyl)propanamide?
The IUPAC name of 3-amino-N-(3-chloro-2-methoxyphenyl)propanamide (CID 119280772) is 3-amino-N-(3-chloro-2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-N-(3-chloro-2-methoxyphenyl)propanamide?
The canonical SMILES for 3-amino-N-(3-chloro-2-methoxyphenyl)propanamide is COc1c(Cl)cccc1NC(=O)CCN.
What is the InChIKey of 3-amino-N-(3-chloro-2-methoxyphenyl)propanamide?
The InChIKey is UUQSWLJAMZDYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-15-10-7(11)3-2-4-8(10)13-9(14)5-6-12/h2-4H,5-6,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-N-(3-chloro-2-methoxyphenyl)propanamide?
3-amino-N-(3-chloro-2-methoxyphenyl)propanamide has a molecular weight of 228.68 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-2-methoxyphenyl)propanamide is sourced from PubChem (CID 119280772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).