1-(3,5-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclopropane-1-carboxamide

C23H27FN2O2 — CID 55874805

IUPAC1-(3,5-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclopropane-1-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C23H27FN2O2/c1-4-26(15-21(27)25-14-18-5-7-20(24)8-6-18)22(28)23(9-10-23)19-12-16(2)11-17(3)13-19/h5-8,11-13H,4,9-10,14-15H2,1-3H3,(H,25,27)
InChIKeyWFSLKCWDWFIGQH-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.64
Rot. Bonds7

About 1-(3,5-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclopropane-1-carboxamide

1-(3,5-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclopropane-1-carboxamide (PubChem CID 55874805) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclopropane-1-carboxamide
PubChem CID55874805
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name1-(3,5-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclopropane-1-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C23H27FN2O2/c1-4-26(15-21(27)25-14-18-5-7-20(24)8-6-18)22(28)23(9-10-23)19-12-16(2)11-17(3)13-19/h5-8,11-13H,4,9-10,14-15H2,1-3H3,(H,25,27)
InChIKeyWFSLKCWDWFIGQH-UHFFFAOYSA-N
XLogP3.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxamide
CID 119291047
2-(3,4-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 8960641
2-(4-aminophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680664
N,5-diethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylthiophene-2-carboxamide
CID 18079934
2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 27821749
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119291035
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 18113075
(2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride
CID 119266584
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113162350
5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27821732
3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 119726485
2-(2-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 26266085

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclopropane-1-carboxamide (CID 55874805) is 1-(3,5-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclopropane-1-carboxamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1(c2cc(C)cc(C)c2)CC1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclopropane-1-carboxamide?
The InChIKey is WFSLKCWDWFIGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-4-26(15-21(27)25-14-18-5-7-20(24)8-6-18)22(28)23(9-10-23)19-12-16(2)11-17(3)13-19/h5-8,11-13H,4,9-10,14-15H2,1-3H3,(H,25,27).
What are the key properties of 1-(3,5-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclopropane-1-carboxamide?
1-(3,5-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclopropane-1-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55874805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).