N-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide

C13H17ClN2O2 — CID 65157307

IUPACN-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide
SMILESNc1ccc(Cl)c(NC(=O)CCC2CCCO2)c1
InChIInChI=1S/C13H17ClN2O2/c14-11-5-3-9(15)8-12(11)16-13(17)6-4-10-2-1-7-18-10/h3,5,8,10H,1-2,4,6-7,15H2,(H,16,17)
InChIKeyDNWVOKKWOMDUQX-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.82
Rot. Bonds4

About N-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide

N-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide (PubChem CID 65157307) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide
PubChem CID65157307
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide
SMILESNc1ccc(Cl)c(NC(=O)CCC2CCCO2)c1
InChIInChI=1S/C13H17ClN2O2/c14-11-5-3-9(15)8-12(11)16-13(17)6-4-10-2-1-7-18-10/h3,5,8,10H,1-2,4,6-7,15H2,(H,16,17)
InChIKeyDNWVOKKWOMDUQX-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-5-iodophenyl)-3-(oxolan-2-yl)propanamide
CID 113255393
N-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide
CID 106494309
N-(2-chlorophenyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39087895
N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride
CID 120568872
N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide
CID 65152231
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302
N-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfinyl)acetamide
CID 106495288
N-(5-amino-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63950896
N-(2-amino-5-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 63951699
N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 81027186
3-amino-4-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 65157363
N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956717

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide (CID 65157307) is N-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide is Nc1ccc(Cl)c(NC(=O)CCC2CCCO2)c1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is DNWVOKKWOMDUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-11-5-3-9(15)8-12(11)16-13(17)6-4-10-2-1-7-18-10/h3,5,8,10H,1-2,4,6-7,15H2,(H,16,17).
What are the key properties of N-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide?
N-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 268.74 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 65157307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).