carbamoyl 3-(2-chlorophenyl)propanoate

C10H10ClNO3 — CID 174469529

IUPACcarbamoyl 3-(2-chlorophenyl)propanoate
SMILESNC(=O)OC(=O)CCc1ccccc1Cl
InChIInChI=1S/C10H10ClNO3/c11-8-4-2-1-3-7(8)5-6-9(13)15-10(12)14/h1-4H,5-6H2,(H2,12,14)
InChIKeyNWLSGRAMOQPPKB-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.89
Rot. Bonds3

About carbamoyl 3-(2-chlorophenyl)propanoate

carbamoyl 3-(2-chlorophenyl)propanoate (PubChem CID 174469529) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is carbamoyl 3-(2-chlorophenyl)propanoate.

Molecular Properties

Compound Namecarbamoyl 3-(2-chlorophenyl)propanoate
PubChem CID174469529
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Namecarbamoyl 3-(2-chlorophenyl)propanoate
SMILESNC(=O)OC(=O)CCc1ccccc1Cl
InChIInChI=1S/C10H10ClNO3/c11-8-4-2-1-3-7(8)5-6-9(13)15-10(12)14/h1-4H,5-6H2,(H2,12,14)
InChIKeyNWLSGRAMOQPPKB-UHFFFAOYSA-N
XLogP1.89
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-4-methylpentan-3-one
CID 43370393
sodium 4-(2-chlorophenyl)-2-oxobutanoate
CID 168859425
1-(2-chlorophenyl)-4,4-dimethylhexan-3-one
CID 91135576
N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide
CID 94279919
2-(2-chlorophenyl)ethyl carbamate;methoxymethanol
CID 144705844
3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82725506
(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methoxy-2-methylpropanamide
CID 95767278
3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
CID 86152302
(2-chlorophenyl)methyl 2-aminoacetate
CID 54593146
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 51058277
1-O-butyl 10-O-[2-(2-chlorophenyl)ethyl] decanedioate
CID 91715987

Frequently Asked Questions

What is the IUPAC name of carbamoyl 3-(2-chlorophenyl)propanoate?
The IUPAC name of carbamoyl 3-(2-chlorophenyl)propanoate (CID 174469529) is carbamoyl 3-(2-chlorophenyl)propanoate.
What is the SMILES notation for carbamoyl 3-(2-chlorophenyl)propanoate?
The canonical SMILES for carbamoyl 3-(2-chlorophenyl)propanoate is NC(=O)OC(=O)CCc1ccccc1Cl.
What is the InChIKey of carbamoyl 3-(2-chlorophenyl)propanoate?
The InChIKey is NWLSGRAMOQPPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c11-8-4-2-1-3-7(8)5-6-9(13)15-10(12)14/h1-4H,5-6H2,(H2,12,14).
What are the key properties of carbamoyl 3-(2-chlorophenyl)propanoate?
carbamoyl 3-(2-chlorophenyl)propanoate has a molecular weight of 227.65 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 3-(2-chlorophenyl)propanoate is sourced from PubChem (CID 174469529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).