N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3,5-difluorobenzamide

C20H23F2N3O2 — CID 87001432

IUPACN-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3,5-difluorobenzamide
SMILESCCN(CC)C(=O)Nc1ccc(C(C)NC(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C20H23F2N3O2/c1-4-25(5-2)20(27)24-18-8-6-14(7-9-18)13(3)23-19(26)15-10-16(21)12-17(22)11-15/h6-13H,4-5H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyLQXWKOMVZQROPG-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.33
Rot. Bonds6

About N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3,5-difluorobenzamide

N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3,5-difluorobenzamide (PubChem CID 87001432) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3,5-difluorobenzamide
PubChem CID87001432
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC NameN-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3,5-difluorobenzamide
SMILESCCN(CC)C(=O)Nc1ccc(C(C)NC(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C20H23F2N3O2/c1-4-25(5-2)20(27)24-18-8-6-14(7-9-18)13(3)23-19(26)15-10-16(21)12-17(22)11-15/h6-13H,4-5H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyLQXWKOMVZQROPG-UHFFFAOYSA-N
XLogP4.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
N-[(1R)-1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3-(methoxymethyl)benzamide
CID 94002339
1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341996
(2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119295830
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide
CID 87001428
3,5-difluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4785745
3-[4-(diethylcarbamoylamino)phenyl]butanoic acid
CID 104501853
N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide
CID 126825343
3-[4-[1-(2,2-dicyanoethenylamino)ethyl]phenyl]-1,1-diethylurea
CID 75416076
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46436900

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3,5-difluorobenzamide?
The IUPAC name of N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3,5-difluorobenzamide (CID 87001432) is N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3,5-difluorobenzamide is CCN(CC)C(=O)Nc1ccc(C(C)NC(=O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3,5-difluorobenzamide?
The InChIKey is LQXWKOMVZQROPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-4-25(5-2)20(27)24-18-8-6-14(7-9-18)13(3)23-19(26)15-10-16(21)12-17(22)11-15/h6-13H,4-5H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3,5-difluorobenzamide?
N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3,5-difluorobenzamide has a molecular weight of 375.42 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3,5-difluorobenzamide is sourced from PubChem (CID 87001432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).