N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide

C14H18FN3O2 — CID 115571346

IUPACN-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
SMILESO=C(CNCCNC(=O)C1CC1)Nc1cccc(F)c1
InChIInChI=1S/C14H18FN3O2/c15-11-2-1-3-12(8-11)18-13(19)9-16-6-7-17-14(20)10-4-5-10/h1-3,8,10,16H,4-7,9H2,(H,17,20)(H,18,19)
InChIKeyNIBSMCPUQGESIM-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.88
Rot. Bonds7

About N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide

N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 115571346) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
PubChem CID115571346
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
SMILESO=C(CNCCNC(=O)C1CC1)Nc1cccc(F)c1
InChIInChI=1S/C14H18FN3O2/c15-11-2-1-3-12(8-11)18-13(19)9-16-6-7-17-14(20)10-4-5-10/h1-3,8,10,16H,4-7,9H2,(H,17,20)(H,18,19)
InChIKeyNIBSMCPUQGESIM-UHFFFAOYSA-N
XLogP0.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.88
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

N-[2-(3-fluoroanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 772128
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 772134
N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 119308743
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
2-(cyclobutylmethylamino)-N-(3-fluorophenyl)acetamide
CID 43298672
N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 55828959
(2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120627706
N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide
CID 113268571
1-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109147342
4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
CID 109145001
N-ethyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]acetamide
CID 43401714
N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119308754

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide (CID 115571346) is N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide is O=C(CNCCNC(=O)C1CC1)Nc1cccc(F)c1.
What is the InChIKey of N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is NIBSMCPUQGESIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-11-2-1-3-12(8-11)18-13(19)9-16-6-7-17-14(20)10-4-5-10/h1-3,8,10,16H,4-7,9H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 279.31 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115571346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).