1-(2,4-dichlorophenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]cyclopropane-1-carboxamide

C24H27Cl2N3O2 — CID 46892975

IUPAC1-(2,4-dichlorophenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]cyclopropane-1-carboxamide
SMILESCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1
InChIInChI=1S/C24H27Cl2N3O2/c1-28-11-13-29(14-12-28)22(30)21(15-17-5-3-2-4-6-17)27-23(31)24(9-10-24)19-8-7-18(25)16-20(19)26/h2-8,16,21H,9-15H2,1H3,(H,27,31)/t21-/m0/s1
InChIKeyUNDSHGMDHIMJOM-NRFANRHFSA-N
MW460.41 g/mol
LogP3.53
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]cyclopropane-1-carboxamide

1-(2,4-dichlorophenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]cyclopropane-1-carboxamide (PubChem CID 46892975) has the molecular formula C24H27Cl2N3O2 and a molecular weight of 460.41 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]cyclopropane-1-carboxamide
PubChem CID46892975
Molecular FormulaC24H27Cl2N3O2
Molecular Weight460.41 g/mol
Exact Mass459.15
IUPAC Name1-(2,4-dichlorophenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]cyclopropane-1-carboxamide
SMILESCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1
InChIInChI=1S/C24H27Cl2N3O2/c1-28-11-13-29(14-12-28)22(30)21(15-17-5-3-2-4-6-17)27-23(31)24(9-10-24)19-8-7-18(25)16-20(19)26/h2-8,16,21H,9-15H2,1H3,(H,27,31)/t21-/m0/s1
InChIKeyUNDSHGMDHIMJOM-NRFANRHFSA-N
XLogP3.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bidisomide
CID 59798
N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 24684626
(4R,5R)-5-amino-4-(2-chlorophenyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 16204462
N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 53364234
(2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]propanamide
CID 54584254
N-[(2R)-1-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 54586172
(2R)-N-(azepan-4-yl)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]propanamide
CID 56663268
1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 56676958
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 56680282
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[4-(dimethylamino)cyclohexyl]propanamide
CID 56680283
1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 56680284
N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 56680285

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]cyclopropane-1-carboxamide (CID 46892975) is 1-(2,4-dichlorophenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]cyclopropane-1-carboxamide is CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is UNDSHGMDHIMJOM-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27Cl2N3O2/c1-28-11-13-29(14-12-28)22(30)21(15-17-5-3-2-4-6-17)27-23(31)24(9-10-24)19-8-7-18(25)16-20(19)26/h2-8,16,21H,9-15H2,1H3,(H,27,31)/t21-/m0/s1.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]cyclopropane-1-carboxamide?
1-(2,4-dichlorophenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 460.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 46892975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).