N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide

C15H19FN2O2 — CID 42948485

IUPACN-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide
SMILESCCC(C)C(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1
InChIInChI=1S/C15H19FN2O2/c1-3-9(2)14(19)17-11-6-7-12(16)13(8-11)18-15(20)10-4-5-10/h6-10H,3-5H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNTUBKSVMKYEDDN-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.16
Rot. Bonds5

About N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide

N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide (PubChem CID 42948485) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide
PubChem CID42948485
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC NameN-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide
SMILESCCC(C)C(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1
InChIInChI=1S/C15H19FN2O2/c1-3-9(2)14(19)17-11-6-7-12(16)13(8-11)18-15(20)10-4-5-10/h6-10H,3-5H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNTUBKSVMKYEDDN-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 119282895
N-[5-(2-butylsulfanylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 55925288
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 55776993
N-[2-fluoro-5-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]cyclopropanecarboxamide
CID 42891388
N-(5-acetamido-2-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119279496
N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-3,5-difluorobenzamide
CID 35337961
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 62726652
N-[5-[(2-amino-3-phenylpropanoyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 119282883
N-(3-acetamido-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119278283
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide (CID 42948485) is N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide is CCC(C)C(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1.
What is the InChIKey of N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is NTUBKSVMKYEDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-3-9(2)14(19)17-11-6-7-12(16)13(8-11)18-15(20)10-4-5-10/h6-10H,3-5H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide?
N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 278.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 42948485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).