N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide

C20H21FN2O2 — CID 56793387

IUPACN-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide
SMILESO=C(NCCCNC(=O)C1(c2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C20H21FN2O2/c21-17-10-5-4-9-16(17)20(11-12-20)19(25)23-14-6-13-22-18(24)15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,22,24)(H,23,25)
InChIKeySAADNCGLYKCALH-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.79
Rot. Bonds7

About N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide

N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide (PubChem CID 56793387) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide
PubChem CID56793387
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide
SMILESO=C(NCCCNC(=O)C1(c2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C20H21FN2O2/c21-17-10-5-4-9-16(17)20(11-12-20)19(25)23-14-6-13-22-18(24)15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,22,24)(H,23,25)
InChIKeySAADNCGLYKCALH-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-N-(5-hydroxypentyl)cyclopropane-1-carboxamide
CID 110485230
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CID 110438277
1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide
CID 110436859
2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 110466030
1-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 110438309
1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide
CID 110437588
3-[2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]ethyldisulfanyl]propanoic acid
CID 166425168
1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
CID 110612491
N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110419576
N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 110438323
1-(2-fluorophenyl)-N-(3-pyridin-3-ylpropyl)cyclopropane-1-carboxamide
CID 110607175
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 16673287

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide?
The IUPAC name of N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide (CID 56793387) is N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide.
What is the SMILES notation for N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide?
The canonical SMILES for N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide is O=C(NCCCNC(=O)C1(c2ccccc2F)CC1)c1ccccc1.
What is the InChIKey of N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide?
The InChIKey is SAADNCGLYKCALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-17-10-5-4-9-16(17)20(11-12-20)19(25)23-14-6-13-22-18(24)15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide?
N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide has a molecular weight of 340.40 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide is sourced from PubChem (CID 56793387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).