1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide

C22H24Cl2N2O3 — CID 56666700

IUPAC1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide
SMILESO=C(NCCCO)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H24Cl2N2O3/c23-17-6-2-15(3-7-17)14-19(20(28)25-12-1-13-27)26-21(29)22(10-11-22)16-4-8-18(24)9-5-16/h2-9,19,27H,1,10-14H2,(H,25,28)(H,26,29)/t19-/m1/s1
InChIKeyKUXHAMKNCQITFC-LJQANCHMSA-N
MW435.35 g/mol
LogP3.25
Rot. Bonds9

About 1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide (PubChem CID 56666700) has the molecular formula C22H24Cl2N2O3 and a molecular weight of 435.35 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide
PubChem CID56666700
Molecular FormulaC22H24Cl2N2O3
Molecular Weight435.35 g/mol
Exact Mass434.12
IUPAC Name1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide
SMILESO=C(NCCCO)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H24Cl2N2O3/c23-17-6-2-15(3-7-17)14-19(20(28)25-12-1-13-27)26-21(29)22(10-11-22)16-4-8-18(24)9-5-16/h2-9,19,27H,1,10-14H2,(H,25,28)(H,26,29)/t19-/m1/s1
InChIKeyKUXHAMKNCQITFC-LJQANCHMSA-N
XLogP3.25
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide (CID 56666700) is 1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide is O=C(NCCCO)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is KUXHAMKNCQITFC-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24Cl2N2O3/c23-17-6-2-15(3-7-17)14-19(20(28)25-12-1-13-27)26-21(29)22(10-11-22)16-4-8-18(24)9-5-16/h2-9,19,27H,1,10-14H2,(H,25,28)(H,26,29)/t19-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 435.35 g/mol, XLogP of 3.25, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 56666700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).