3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide

C11H15ClN2O2 — CID 60927898

IUPAC3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
SMILESCCOc1ccc(Cl)cc1NC(=O)CCN
InChIInChI=1S/C11H15ClN2O2/c1-2-16-10-4-3-8(12)7-9(10)14-11(15)5-6-13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyJJDOKKSVTZAVHW-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.03
Rot. Bonds5

About 3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide

3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide (PubChem CID 60927898) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
PubChem CID60927898
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
SMILESCCOc1ccc(Cl)cc1NC(=O)CCN
InChIInChI=1S/C11H15ClN2O2/c1-2-16-10-4-3-8(12)7-9(10)14-11(15)5-6-13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyJJDOKKSVTZAVHW-UHFFFAOYSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519
4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide
CID 63308071
N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide
CID 79204145
3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide
CID 119300663
3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927791
3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide
CID 119318009
3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide
CID 64683487
N-(5-chloro-2-ethoxyphenyl)-3-(cyclopropylamino)propanamide
CID 54862719
4-amino-N-(5-chloro-2-propoxyphenyl)butanamide
CID 54862408
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
N-(5-chloro-2-ethoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54862706

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide?
The IUPAC name of 3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide (CID 60927898) is 3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide is CCOc1ccc(Cl)cc1NC(=O)CCN.
What is the InChIKey of 3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide?
The InChIKey is JJDOKKSVTZAVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-2-16-10-4-3-8(12)7-9(10)14-11(15)5-6-13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide?
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide has a molecular weight of 242.71 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide is sourced from PubChem (CID 60927898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).