N-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide

C15H16ClFN2O2 — CID 108971674

IUPACN-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1(C(=O)N2CCCC2)CC1
InChIInChI=1S/C15H16ClFN2O2/c16-11-9-10(3-4-12(11)17)18-13(20)15(5-6-15)14(21)19-7-1-2-8-19/h3-4,9H,1-2,5-8H2,(H,18,20)
InChIKeyUBMILUCTFUWCCL-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.82
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide

N-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108971674) has the molecular formula C15H16ClFN2O2 and a molecular weight of 310.76 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108971674
Molecular FormulaC15H16ClFN2O2
Molecular Weight310.76 g/mol
Exact Mass310.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1(C(=O)N2CCCC2)CC1
InChIInChI=1S/C15H16ClFN2O2/c16-11-9-10(3-4-12(11)17)18-13(20)15(5-6-15)14(21)19-7-1-2-8-19/h3-4,9H,1-2,5-8H2,(H,18,20)
InChIKeyUBMILUCTFUWCCL-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 108974500
1-(azepane-1-carbonyl)-N-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 108980503
N-(3,5-dichlorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971734
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972109
N-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972050
N-(2,4-dichlorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971732
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
1-carbamothioyl-N-(3-chloro-4-fluorophenyl)cyclobutane-1-carboxamide
CID 80592744
1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980871
N-(3,4-difluorophenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974409
1-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 108980445
1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108971482

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide (CID 108971674) is N-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)C1(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is UBMILUCTFUWCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O2/c16-11-9-10(3-4-12(11)17)18-13(20)15(5-6-15)14(21)19-7-1-2-8-19/h3-4,9H,1-2,5-8H2,(H,18,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 310.76 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108971674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).