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

C25H29Cl2N3O3 — CID 75229165

IUPAC1-(2,4-dichlorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]cyclopropane-1-carboxamide
SMILESCN1CCN(C(=O)C(COCc2ccccc2)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1
InChIInChI=1S/C25H29Cl2N3O3/c1-29-11-13-30(14-12-29)23(31)22(17-33-16-18-5-3-2-4-6-18)28-24(32)25(9-10-25)20-8-7-19(26)15-21(20)27/h2-8,15,22H,9-14,16-17H2,1H3,(H,28,32)
InChIKeyNEXRPVDFTJNSMM-UHFFFAOYSA-N
MW490.43 g/mol
LogP3.50
Rot. Bonds8

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

1-(2,4-dichlorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]cyclopropane-1-carboxamide (PubChem CID 75229165) has the molecular formula C25H29Cl2N3O3 and a molecular weight of 490.43 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]cyclopropane-1-carboxamide
PubChem CID75229165
Molecular FormulaC25H29Cl2N3O3
Molecular Weight490.43 g/mol
Exact Mass489.16
IUPAC Name1-(2,4-dichlorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]cyclopropane-1-carboxamide
SMILESCN1CCN(C(=O)C(COCc2ccccc2)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1
InChIInChI=1S/C25H29Cl2N3O3/c1-29-11-13-30(14-12-29)23(31)22(17-33-16-18-5-3-2-4-6-18)28-24(32)25(9-10-25)20-8-7-19(26)15-21(20)27/h2-8,15,22H,9-14,16-17H2,1H3,(H,28,32)
InChIKeyNEXRPVDFTJNSMM-UHFFFAOYSA-N
XLogP3.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 75229212
[(2R)-3-[(4-chlorophenyl)methoxy]-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]carbamic acid
CID 22867303
1-(2,4-dichlorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-[2-(trifluoromethyl)phenyl]butan-2-yl]cyclopropane-1-carboxamide
CID 90776730
2-[[1-(2,4-dichlorophenyl)cyclopropyl]methylamino]-1-(4-methylpiperazin-1-yl)-3-(4-phenylphenyl)propan-1-one
CID 91129128
N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-(2,4,6-trichlorophenoxy)pyridine-3-carboxamide
CID 75237829
2-(2-benzyl-4-chlorophenoxy)-N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide
CID 75237827
1-(3,4-dichlorophenyl)-N-[(2S)-3-(2,4-dichlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 46893094
N-[3-(2,4-dichlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 75229363
N-[3-(4-bromophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 76554619
(2S)-2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1-methylcyclopropyl)propanoic acid
CID 68795430
2-[2-chloro-5-(trifluoromethyl)phenoxy]-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide
CID 46869369
2-[2-chloro-5-(trifluoromethyl)phenoxy]-N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide
CID 75237781

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]cyclopropane-1-carboxamide (CID 75229165) is 1-(2,4-dichlorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]cyclopropane-1-carboxamide is CN1CCN(C(=O)C(COCc2ccccc2)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is NEXRPVDFTJNSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2N3O3/c1-29-11-13-30(14-12-29)23(31)22(17-33-16-18-5-3-2-4-6-18)28-24(32)25(9-10-25)20-8-7-19(26)15-21(20)27/h2-8,15,22H,9-14,16-17H2,1H3,(H,28,32).
What are the key properties of 1-(2,4-dichlorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]cyclopropane-1-carboxamide?
1-(2,4-dichlorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 490.43 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 75229165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).