2-(3-chlorophenyl)-2-(ethylamino)butanamide

C12H17ClN2O — CID 60786890

IUPAC2-(3-chlorophenyl)-2-(ethylamino)butanamide
SMILESCCNC(CC)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-3-12(11(14)16,15-4-2)9-6-5-7-10(13)8-9/h5-8,15H,3-4H2,1-2H3,(H2,14,16)
InChIKeyCTGVLMANMZMMGG-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.04
Rot. Bonds5

About 2-(3-chlorophenyl)-2-(ethylamino)butanamide

2-(3-chlorophenyl)-2-(ethylamino)butanamide (PubChem CID 60786890) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(ethylamino)butanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(ethylamino)butanamide
PubChem CID60786890
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-(3-chlorophenyl)-2-(ethylamino)butanamide
SMILESCCNC(CC)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-3-12(11(14)16,15-4-2)9-6-5-7-10(13)8-9/h5-8,15H,3-4H2,1-2H3,(H2,14,16)
InChIKeyCTGVLMANMZMMGG-UHFFFAOYSA-N
XLogP2.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate
CID 60788385
2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide
CID 60998078
2-(3-chlorophenyl)-2-(methylamino)butanoic acid
CID 43753632
2-(3-chlorophenyl)-2-(propylamino)butanoic acid
CID 43754042
ethyl 2-(3-chlorophenyl)-2-(methylamino)butanoate
CID 60788391
2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid
CID 61024537
2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide
CID 60996840
ethyl 2-(3-chlorophenyl)-2-(prop-2-ynylamino)butanoate
CID 62364965
2-amino-2-(3-chlorophenyl)butanoic acid
CID 24690469
2-(4-chloroanilino)-2-phenylbutanamide
CID 60991020
2-(3-fluorophenyl)-2-(methylamino)butanamide
CID 114871926
3-(3-chlorophenyl)-3-fluoropentanamide
CID 68878178

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(ethylamino)butanamide?
The IUPAC name of 2-(3-chlorophenyl)-2-(ethylamino)butanamide (CID 60786890) is 2-(3-chlorophenyl)-2-(ethylamino)butanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(ethylamino)butanamide?
The canonical SMILES for 2-(3-chlorophenyl)-2-(ethylamino)butanamide is CCNC(CC)(C(N)=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(ethylamino)butanamide?
The InChIKey is CTGVLMANMZMMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-12(11(14)16,15-4-2)9-6-5-7-10(13)8-9/h5-8,15H,3-4H2,1-2H3,(H2,14,16).
What are the key properties of 2-(3-chlorophenyl)-2-(ethylamino)butanamide?
2-(3-chlorophenyl)-2-(ethylamino)butanamide has a molecular weight of 240.73 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(ethylamino)butanamide is sourced from PubChem (CID 60786890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).