1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide

C16H21ClN2O2 — CID 108979783

IUPAC1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
SMILESCCCCCNC(=O)C1(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O2/c1-2-3-4-11-18-14(20)16(9-10-16)15(21)19-13-7-5-12(17)6-8-13/h5-8H,2-4,9-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyJSZNHQMZTQTHIG-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.37
Rot. Bonds7

About 1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide

1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide (PubChem CID 108979783) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
PubChem CID108979783
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
SMILESCCCCCNC(=O)C1(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O2/c1-2-3-4-11-18-14(20)16(9-10-16)15(21)19-13-7-5-12(17)6-8-13/h5-8H,2-4,9-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyJSZNHQMZTQTHIG-UHFFFAOYSA-N
XLogP3.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971062
1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979823
1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979810
1-N'-(4-chlorophenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976103
1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979858
1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979827
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
1-N-butyl-1-N'-(3-chloro-4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108971097
1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979784
N'-(4-chlorophenyl)-N-nonyloxamide
CID 124542894
1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979795
1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977390

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide (CID 108979783) is 1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide is CCCCCNC(=O)C1(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
The InChIKey is JSZNHQMZTQTHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-2-3-4-11-18-14(20)16(9-10-16)15(21)19-13-7-5-12(17)6-8-13/h5-8H,2-4,9-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide has a molecular weight of 308.81 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).