N-[2-fluoro-5-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]cyclopropanecarboxamide

C15H19FN4O3 — CID 42891388

IUPACN-[2-fluoro-5-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]cyclopropanecarboxamide
SMILESCNC(=O)NC(=O)C(C)Nc1ccc(F)c(NC(=O)C2CC2)c1
InChIInChI=1S/C15H19FN4O3/c1-8(13(21)20-15(23)17-2)18-10-5-6-11(16)12(7-10)19-14(22)9-3-4-9/h5-9,18H,3-4H2,1-2H3,(H,19,22)(H2,17,20,21,23)
InChIKeyJLZFGINQCMUTBT-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.43
Rot. Bonds5

About N-[2-fluoro-5-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]cyclopropanecarboxamide

N-[2-fluoro-5-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 42891388) has the molecular formula C15H19FN4O3 and a molecular weight of 322.34 g/mol. Its IUPAC name is N-[2-fluoro-5-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]cyclopropanecarboxamide
PubChem CID42891388
Molecular FormulaC15H19FN4O3
Molecular Weight322.34 g/mol
Exact Mass322.14
IUPAC NameN-[2-fluoro-5-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]cyclopropanecarboxamide
SMILESCNC(=O)NC(=O)C(C)Nc1ccc(F)c(NC(=O)C2CC2)c1
InChIInChI=1S/C15H19FN4O3/c1-8(13(21)20-15(23)17-2)18-10-5-6-11(16)12(7-10)19-14(22)9-3-4-9/h5-9,18H,3-4H2,1-2H3,(H,19,22)(H2,17,20,21,23)
InChIKeyJLZFGINQCMUTBT-UHFFFAOYSA-N
XLogP1.43
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 42948485
2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43385595
2-(4-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43084432
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43083891
2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide
CID 43084686
2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide
CID 51178190
N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-3,5-difluorobenzamide
CID 35337961
N-(5-acetamido-2-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119279496
N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 47057222
(2R)-2-(3-acetamido-4-fluoroanilino)-N,N-di(propan-2-yl)propanamide
CID 37310616
(2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide
CID 25345040

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-fluoro-5-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]cyclopropanecarboxamide (CID 42891388) is N-[2-fluoro-5-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-fluoro-5-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-fluoro-5-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]cyclopropanecarboxamide is CNC(=O)NC(=O)C(C)Nc1ccc(F)c(NC(=O)C2CC2)c1.
What is the InChIKey of N-[2-fluoro-5-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is JLZFGINQCMUTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O3/c1-8(13(21)20-15(23)17-2)18-10-5-6-11(16)12(7-10)19-14(22)9-3-4-9/h5-9,18H,3-4H2,1-2H3,(H,19,22)(H2,17,20,21,23).
What are the key properties of N-[2-fluoro-5-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]cyclopropanecarboxamide?
N-[2-fluoro-5-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 322.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 42891388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).