1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one

C16H22ClNO — CID 55001883

IUPAC1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one
SMILESCC(C)CN(C1CC1)C(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO/c1-11(2)10-18(15-8-9-15)12(3)16(19)13-4-6-14(17)7-5-13/h4-7,11-12,15H,8-10H2,1-3H3
InChIKeySQKAEKMBPOMRTF-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.03
Rot. Bonds6

About 1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one

1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one (PubChem CID 55001883) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one
PubChem CID55001883
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one
SMILESCC(C)CN(C1CC1)C(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO/c1-11(2)10-18(15-8-9-15)12(3)16(19)13-4-6-14(17)7-5-13/h4-7,11-12,15H,8-10H2,1-3H3
InChIKeySQKAEKMBPOMRTF-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one
CID 63568414
2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one
CID 43794990
1-(4-chlorophenyl)-3-cyclopropyl-2-methylpropan-1-one
CID 158974687
1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
CID 60678397
2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)propan-1-one
CID 61451909
2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 43796353
1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one
CID 82742632
1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one
CID 63964851
1-(4-chlorophenyl)-2-methylbutane-1,3-dione
CID 83533665
1-(4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propan-1-one
CID 79476971
2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 62052939
ethyl 3-[[4-(4-chlorophenyl)-4-oxobutanoyl]-cyclopropylamino]-2-methylpropanoate
CID 84558739

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one (CID 55001883) is 1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one is CC(C)CN(C1CC1)C(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one?
The InChIKey is SQKAEKMBPOMRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-11(2)10-18(15-8-9-15)12(3)16(19)13-4-6-14(17)7-5-13/h4-7,11-12,15H,8-10H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one?
1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one has a molecular weight of 279.81 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one is sourced from PubChem (CID 55001883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).