1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide

C18H13ClFN3O2 — CID 109143222

IUPAC1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
SMILESN#Cc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H13ClFN3O2/c19-15-7-12(5-6-16(15)20)23-18(25)14-8-13(14)17(24)22-11-3-1-10(9-21)2-4-11/h1-7,13-14H,8H2,(H,22,24)(H,23,25)
InChIKeyFQXDHIOKEBFXCV-UHFFFAOYSA-N
MW357.77 g/mol
LogP3.56
Rot. Bonds4

About 1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide

1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109143222) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is 1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109143222
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC Name1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
SMILESN#Cc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H13ClFN3O2/c19-15-7-12(5-6-16(15)20)23-18(25)14-8-13(14)17(24)22-11-3-1-10(9-21)2-4-11/h1-7,13-14H,8H2,(H,22,24)(H,23,25)
InChIKeyFQXDHIOKEBFXCV-UHFFFAOYSA-N
XLogP3.56
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-1-N,2-N-bis(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 124628395
2-N-(3-chloro-4-fluorophenyl)-1-N-(4-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143094
2-N-(4-cyanophenyl)-1-N-(2,3-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144193
1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109144038
2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide
CID 9099605
1-N-(3-chloro-4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137252
1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142798
N-(3-chloro-4-fluorophenyl)-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide
CID 60522633
2-N-(3-chloro-4-methoxyphenyl)-1-N-(3-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143267
1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109134892
1-N-(3-chloro-4-methoxyphenyl)-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142934
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide (CID 109143222) is 1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide is N#Cc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is FQXDHIOKEBFXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c19-15-7-12(5-6-16(15)20)23-18(25)14-8-13(14)17(24)22-11-3-1-10(9-21)2-4-11/h1-7,13-14H,8H2,(H,22,24)(H,23,25).
What are the key properties of 1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide?
1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 357.77 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109143222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).