1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide

C20H21FN2O — CID 110424930

IUPAC1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C1(c2ccccc2F)CC1
InChIInChI=1S/C20H21FN2O/c21-18-6-2-1-5-17(18)20(11-12-20)19(24)22-15-7-9-16(10-8-15)23-13-3-4-14-23/h1-2,5-10H,3-4,11-14H2,(H,22,24)
InChIKeyNEQUAWSDSOZTMB-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.10
Rot. Bonds4

About 1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 110424930) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
PubChem CID110424930
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C1(c2ccccc2F)CC1
InChIInChI=1S/C20H21FN2O/c21-18-6-2-1-5-17(18)20(11-12-20)19(24)22-15-7-9-16(10-8-15)23-13-3-4-14-23/h1-2,5-10H,3-4,11-14H2,(H,22,24)
InChIKeyNEQUAWSDSOZTMB-UHFFFAOYSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110438567
1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
CID 110439047
1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 113209224
1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100672872
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673262
N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008370
4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide
CID 100682300
2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
CID 122110125
1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide
CID 65463655
1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
CID 81178816
N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110423595
1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 63180680

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide (CID 110424930) is 1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)C1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is NEQUAWSDSOZTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c21-18-6-2-1-5-17(18)20(11-12-20)19(24)22-15-7-9-16(10-8-15)23-13-3-4-14-23/h1-2,5-10H,3-4,11-14H2,(H,22,24).
What are the key properties of 1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110424930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).