N-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide

C20H24FN3O3 — CID 72873722

IUPACN-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide
SMILESCc1ccccc1OCCNC(=O)Nc1ccc(F)c(NC(=O)C(C)C)c1
InChIInChI=1S/C20H24FN3O3/c1-13(2)19(25)24-17-12-15(8-9-16(17)21)23-20(26)22-10-11-27-18-7-5-4-6-14(18)3/h4-9,12-13H,10-11H2,1-3H3,(H,24,25)(H2,22,23,26)
InChIKeyNRKHSXWMIHBCPX-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.93
Rot. Bonds7

About N-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide

N-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide (PubChem CID 72873722) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide
PubChem CID72873722
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC NameN-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide
SMILESCc1ccccc1OCCNC(=O)Nc1ccc(F)c(NC(=O)C(C)C)c1
InChIInChI=1S/C20H24FN3O3/c1-13(2)19(25)24-17-12-15(8-9-16(17)21)23-20(26)22-10-11-27-18-7-5-4-6-14(18)3/h4-9,12-13H,10-11H2,1-3H3,(H,24,25)(H2,22,23,26)
InChIKeyNRKHSXWMIHBCPX-UHFFFAOYSA-N
XLogP3.93
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969838
1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969888
1-(3,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972335
N-[5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide
CID 118768916
1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883801
1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969860
1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883820
N-[2-fluoro-5-[2-(5-methylfuran-2-yl)ethylcarbamoylamino]phenyl]-2-methylpropanamide
CID 118785479
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
1-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974535
1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971745
1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883694

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide (CID 72873722) is N-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide is Cc1ccccc1OCCNC(=O)Nc1ccc(F)c(NC(=O)C(C)C)c1.
What is the InChIKey of N-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide?
The InChIKey is NRKHSXWMIHBCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-13(2)19(25)24-17-12-15(8-9-16(17)21)23-20(26)22-10-11-27-18-7-5-4-6-14(18)3/h4-9,12-13H,10-11H2,1-3H3,(H,24,25)(H2,22,23,26).
What are the key properties of N-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide?
N-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide has a molecular weight of 373.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 72873722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).