1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide

C20H20ClFN2O2 — CID 108975823

IUPAC1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H20ClFN2O2/c21-16-3-1-2-14(12-16)8-11-23-18(25)20(9-10-20)19(26)24-13-15-4-6-17(22)7-5-15/h1-7,12H,8-11,13H2,(H,23,25)(H,24,26)
InChIKeyHQEQKBCOPZTUAI-UHFFFAOYSA-N
MW374.84 g/mol
LogP3.23
Rot. Bonds7

About 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide

1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108975823) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
PubChem CID108975823
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC Name1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H20ClFN2O2/c21-16-3-1-2-14(12-16)8-11-23-18(25)20(9-10-20)19(26)24-13-15-4-6-17(22)7-5-15/h1-7,12H,8-11,13H2,(H,23,25)(H,24,26)
InChIKeyHQEQKBCOPZTUAI-UHFFFAOYSA-N
XLogP3.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976073
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 108984928
1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977360
1-N'-[2-(3-chlorophenyl)ethyl]-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973789
1-N-[(4-fluorophenyl)methyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975053
1-N'-(2,6-dichlorophenyl)-1-N-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975902
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8906692
1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 52642916
1-[[3-(aminomethyl)phenyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 108901405
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 46555601
N-[2-(3-chlorophenyl)ethyl]-1-[4-(4-fluorophenyl)but-1-en-2-yl]-4-phenylpiperidine-4-carboxamide
CID 89308035
1-N'-(3-chloro-4-methylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975857

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide (CID 108975823) is 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide is O=C(NCCc1cccc(Cl)c1)C1(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is HQEQKBCOPZTUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c21-16-3-1-2-14(12-16)8-11-23-18(25)20(9-10-20)19(26)24-13-15-4-6-17(22)7-5-15/h1-7,12H,8-11,13H2,(H,23,25)(H,24,26).
What are the key properties of 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 374.84 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108975823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).