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

C18H22FN3O3 — CID 118785479

IUPACN-[2-fluoro-5-[2-(5-methylfuran-2-yl)ethylcarbamoylamino]phenyl]-2-methylpropanamide
SMILESCc1ccc(CCNC(=O)Nc2ccc(F)c(NC(=O)C(C)C)c2)o1
InChIInChI=1S/C18H22FN3O3/c1-11(2)17(23)22-16-10-13(5-7-15(16)19)21-18(24)20-9-8-14-6-4-12(3)25-14/h4-7,10-11H,8-9H2,1-3H3,(H,22,23)(H2,20,21,24)
InChIKeyMCDHIHODVCWSCB-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.69
Rot. Bonds6

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

N-[2-fluoro-5-[2-(5-methylfuran-2-yl)ethylcarbamoylamino]phenyl]-2-methylpropanamide (PubChem CID 118785479) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[2-fluoro-5-[2-(5-methylfuran-2-yl)ethylcarbamoylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[2-(5-methylfuran-2-yl)ethylcarbamoylamino]phenyl]-2-methylpropanamide
PubChem CID118785479
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC NameN-[2-fluoro-5-[2-(5-methylfuran-2-yl)ethylcarbamoylamino]phenyl]-2-methylpropanamide
SMILESCc1ccc(CCNC(=O)Nc2ccc(F)c(NC(=O)C(C)C)c2)o1
InChIInChI=1S/C18H22FN3O3/c1-11(2)17(23)22-16-10-13(5-7-15(16)19)21-18(24)20-9-8-14-6-4-12(3)25-14/h4-7,10-11H,8-9H2,1-3H3,(H,22,23)(H2,20,21,24)
InChIKeyMCDHIHODVCWSCB-UHFFFAOYSA-N
XLogP3.69
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide
CID 118768916
1-(3-chlorophenyl)-3-[2-(5-methylfuran-2-yl)ethyl]urea
CID 38285214
N-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide
CID 72873722
N-[5-[(3-ethylimidazol-4-yl)methylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide
CID 118782816
2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide
CID 43683738
N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide
CID 86987897
2-(dimethylamino)-N-[2-methyl-3-[2-(5-methylfuran-2-yl)ethylcarbamoylamino]phenyl]acetamide
CID 72916440
1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea
CID 46859781
2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 49285859
N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
CID 47192808
N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 110872482
1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336755

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[2-(5-methylfuran-2-yl)ethylcarbamoylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-5-[2-(5-methylfuran-2-yl)ethylcarbamoylamino]phenyl]-2-methylpropanamide (CID 118785479) is N-[2-fluoro-5-[2-(5-methylfuran-2-yl)ethylcarbamoylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-5-[2-(5-methylfuran-2-yl)ethylcarbamoylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-5-[2-(5-methylfuran-2-yl)ethylcarbamoylamino]phenyl]-2-methylpropanamide is Cc1ccc(CCNC(=O)Nc2ccc(F)c(NC(=O)C(C)C)c2)o1.
What is the InChIKey of N-[2-fluoro-5-[2-(5-methylfuran-2-yl)ethylcarbamoylamino]phenyl]-2-methylpropanamide?
The InChIKey is MCDHIHODVCWSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-11(2)17(23)22-16-10-13(5-7-15(16)19)21-18(24)20-9-8-14-6-4-12(3)25-14/h4-7,10-11H,8-9H2,1-3H3,(H,22,23)(H2,20,21,24).
What are the key properties of N-[2-fluoro-5-[2-(5-methylfuran-2-yl)ethylcarbamoylamino]phenyl]-2-methylpropanamide?
N-[2-fluoro-5-[2-(5-methylfuran-2-yl)ethylcarbamoylamino]phenyl]-2-methylpropanamide has a molecular weight of 347.39 g/mol, XLogP of 3.69, 6 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-(5-methylfuran-2-yl)ethylcarbamoylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 118785479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).