N-[5-[(3-ethylimidazol-4-yl)methylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide

C17H22FN5O2 — CID 118782816

IUPACN-[5-[(3-ethylimidazol-4-yl)methylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide
SMILESCCn1cncc1CNC(=O)Nc1ccc(F)c(NC(=O)C(C)C)c1
InChIInChI=1S/C17H22FN5O2/c1-4-23-10-19-8-13(23)9-20-17(25)21-12-5-6-14(18)15(7-12)22-16(24)11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,22,24)(H2,20,21,25)
InChIKeyRENHYZVLCYLDRT-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.96
Rot. Bonds6

About N-[5-[(3-ethylimidazol-4-yl)methylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide

N-[5-[(3-ethylimidazol-4-yl)methylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide (PubChem CID 118782816) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[5-[(3-ethylimidazol-4-yl)methylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[(3-ethylimidazol-4-yl)methylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide
PubChem CID118782816
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC NameN-[5-[(3-ethylimidazol-4-yl)methylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide
SMILESCCn1cncc1CNC(=O)Nc1ccc(F)c(NC(=O)C(C)C)c1
InChIInChI=1S/C17H22FN5O2/c1-4-23-10-19-8-13(23)9-20-17(25)21-12-5-6-14(18)15(7-12)22-16(24)11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,22,24)(H2,20,21,25)
InChIKeyRENHYZVLCYLDRT-UHFFFAOYSA-N
XLogP2.96
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide
CID 118768916
N-[2-fluoro-5-[2-(5-methylfuran-2-yl)ethylcarbamoylamino]phenyl]-2-methylpropanamide
CID 118785479
N-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide
CID 72873722
N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide
CID 86987897
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide
CID 124849946
N-[(3-ethylimidazol-4-yl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 66135281
N-[(3-ethylimidazol-4-yl)methyl]-2,3,4-trifluoroaniline
CID 66118850
2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 50955551
1-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]urea
CID 91838916
5-[(3-ethylimidazol-4-yl)methylamino]-2,4-difluorobenzoic acid
CID 66132571
propan-2-yl 4-[(3-ethylimidazol-4-yl)methylamino]benzoate
CID 66133585
tert-butyl N-[4-fluoro-3-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]carbamate
CID 56789257

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-ethylimidazol-4-yl)methylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide?
The IUPAC name of N-[5-[(3-ethylimidazol-4-yl)methylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide (CID 118782816) is N-[5-[(3-ethylimidazol-4-yl)methylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[(3-ethylimidazol-4-yl)methylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide?
The canonical SMILES for N-[5-[(3-ethylimidazol-4-yl)methylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide is CCn1cncc1CNC(=O)Nc1ccc(F)c(NC(=O)C(C)C)c1.
What is the InChIKey of N-[5-[(3-ethylimidazol-4-yl)methylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide?
The InChIKey is RENHYZVLCYLDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-4-23-10-19-8-13(23)9-20-17(25)21-12-5-6-14(18)15(7-12)22-16(24)11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,22,24)(H2,20,21,25).
What are the key properties of N-[5-[(3-ethylimidazol-4-yl)methylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide?
N-[5-[(3-ethylimidazol-4-yl)methylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide has a molecular weight of 347.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-ethylimidazol-4-yl)methylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide is sourced from PubChem (CID 118782816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).