2-amino-3-(2,4-dichlorophenyl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one

C15H20Cl2N2O — CID 164907228

IUPAC2-amino-3-(2,4-dichlorophenyl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
SMILESCC(C)C1CN(C(=O)C(N)Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H20Cl2N2O/c1-9(2)11-7-19(8-11)15(20)14(18)5-10-3-4-12(16)6-13(10)17/h3-4,6,9,11,14H,5,7-8,18H2,1-2H3
InChIKeyBTHXFJQNRSLLQZ-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.98
Rot. Bonds4

About 2-amino-3-(2,4-dichlorophenyl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one

2-amino-3-(2,4-dichlorophenyl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one (PubChem CID 164907228) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 2-amino-3-(2,4-dichlorophenyl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-(2,4-dichlorophenyl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
PubChem CID164907228
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name2-amino-3-(2,4-dichlorophenyl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
SMILESCC(C)C1CN(C(=O)C(N)Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H20Cl2N2O/c1-9(2)11-7-19(8-11)15(20)14(18)5-10-3-4-12(16)6-13(10)17/h3-4,6,9,11,14H,5,7-8,18H2,1-2H3
InChIKeyBTHXFJQNRSLLQZ-UHFFFAOYSA-N
XLogP2.98
TPSA46.33 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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[4-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-3-(2-methylpropyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one
CID 69169129
2-amino-3-(2,4-dichlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]propan-1-one
CID 69184296
(2R)-2-amino-1-[5-[cyclohexyl(methyl)amino]-1,3-dihydroisoindol-2-yl]-3-(2,4-dichlorophenyl)propan-1-one
CID 69237846
N-[2-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1,3-dihydroisoindol-5-yl]methanesulfinamide
CID 164907179
N-[[2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propanoyl]-1,3-dihydroisoindol-5-yl]methyl]acetamide
CID 69193561
(2S,4S)-1-[(2S)-2-amino-3-(2,4-dichlorophenyl)propanoyl]-4-fluoropyrrolidine-2-carbonitrile
CID 171349502
N-[[2-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1,3-dihydroisoindol-5-yl]methyl]-2-methylbutanamide
CID 69193312
2-amino-1-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]-3-(2,4-dichlorophenyl)propan-1-one;methanesulfinate
CID 164907224
2-amino-3-[2-chloro-4-(4-chlorophenyl)phenyl]-1-(1,3-dihydroisoindol-2-yl)propan-1-one
CID 69182106
1'-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 69237539
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride
CID 119516648
(2R)-2-amino-3-(2,4-dichlorophenyl)-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one;(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one
CID 159050555

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4-dichlorophenyl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-3-(2,4-dichlorophenyl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one (CID 164907228) is 2-amino-3-(2,4-dichlorophenyl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-3-(2,4-dichlorophenyl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-3-(2,4-dichlorophenyl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one is CC(C)C1CN(C(=O)C(N)Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 2-amino-3-(2,4-dichlorophenyl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one?
The InChIKey is BTHXFJQNRSLLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-9(2)11-7-19(8-11)15(20)14(18)5-10-3-4-12(16)6-13(10)17/h3-4,6,9,11,14H,5,7-8,18H2,1-2H3.
What are the key properties of 2-amino-3-(2,4-dichlorophenyl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one?
2-amino-3-(2,4-dichlorophenyl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one has a molecular weight of 315.24 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4-dichlorophenyl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one is sourced from PubChem (CID 164907228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).