1-N-[2-(4-fluorophenyl)ethyl]-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide

C19H27FN2O2 — CID 108977470

IUPAC1-N-[2-(4-fluorophenyl)ethyl]-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
SMILESCCCN(CCC)C(=O)C1(C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O2/c1-3-13-22(14-4-2)18(24)19(10-11-19)17(23)21-12-9-15-5-7-16(20)8-6-15/h5-8H,3-4,9-14H2,1-2H3,(H,21,23)
InChIKeyYAUBEYWLWTWNQR-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.91
Rot. Bonds9

About 1-N-[2-(4-fluorophenyl)ethyl]-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide

1-N-[2-(4-fluorophenyl)ethyl]-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide (PubChem CID 108977470) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-N-[2-(4-fluorophenyl)ethyl]-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(4-fluorophenyl)ethyl]-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
PubChem CID108977470
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC Name1-N-[2-(4-fluorophenyl)ethyl]-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
SMILESCCCN(CCC)C(=O)C1(C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O2/c1-3-13-22(14-4-2)18(24)19(10-11-19)17(23)21-12-9-15-5-7-16(20)8-6-15/h5-8H,3-4,9-14H2,1-2H3,(H,21,23)
InChIKeyYAUBEYWLWTWNQR-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.91
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-N'-[4-(dimethylamino)phenyl]-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977531
1-N',1-N'-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977349
1-N-(3-fluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108980311
4-(4-fluorophenyl)-N,N-dipropylbutanamide
CID 110297678
2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 83080161
(2R)-2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 129381268
ethyl 4-[1-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108977457
1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977513
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108526117
1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977816
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603517

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-fluorophenyl)ethyl]-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[2-(4-fluorophenyl)ethyl]-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide (CID 108977470) is 1-N-[2-(4-fluorophenyl)ethyl]-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[2-(4-fluorophenyl)ethyl]-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[2-(4-fluorophenyl)ethyl]-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide is CCCN(CCC)C(=O)C1(C(=O)NCCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-N-[2-(4-fluorophenyl)ethyl]-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide?
The InChIKey is YAUBEYWLWTWNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-3-13-22(14-4-2)18(24)19(10-11-19)17(23)21-12-9-15-5-7-16(20)8-6-15/h5-8H,3-4,9-14H2,1-2H3,(H,21,23).
What are the key properties of 1-N-[2-(4-fluorophenyl)ethyl]-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide?
1-N-[2-(4-fluorophenyl)ethyl]-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide has a molecular weight of 334.43 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-fluorophenyl)ethyl]-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108977470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).