1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone

C15H20Cl2N2O — CID 60963178

IUPAC1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)N1CCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O/c1-10(2)18-9-15(20)19-7-3-4-14(19)11-5-6-12(16)13(17)8-11/h5-6,8,10,14,18H,3-4,7,9H2,1-2H3
InChIKeyUSTSEZKEMJOTRN-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.65
Rot. Bonds4

About 1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone

1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone (PubChem CID 60963178) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone
PubChem CID60963178
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)N1CCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O/c1-10(2)18-9-15(20)19-7-3-4-14(19)11-5-6-12(16)13(17)8-11/h5-6,8,10,14,18H,3-4,7,9H2,1-2H3
InChIKeyUSTSEZKEMJOTRN-UHFFFAOYSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62230261
2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone
CID 60963537
2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119721721
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(methylamino)propan-1-one
CID 62638779
2-amino-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288449
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-(ethylamino)propan-1-one
CID 62834949
4-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 60948472
N-[2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 55924693
2-(azetidin-3-yl)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]propan-1-one
CID 116676654
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 56819392
3-amino-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119949824
tert-butyl 2-(3,4-dichlorophenyl)pyrrolidine-1-carboxylate
CID 65142557

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone (CID 60963178) is 1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone is CC(C)NCC(=O)N1CCCC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone?
The InChIKey is USTSEZKEMJOTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-10(2)18-9-15(20)19-7-3-4-14(19)11-5-6-12(16)13(17)8-11/h5-6,8,10,14,18H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone?
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone has a molecular weight of 315.24 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 60963178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).