N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide

C20H20FN3O3 — CID 55828959

IUPACN-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESO=C(Cc1cccc(F)c1)NCC(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C20H20FN3O3/c21-15-4-1-3-13(9-15)10-18(25)22-12-19(26)23-16-5-2-6-17(11-16)24-20(27)14-7-8-14/h1-6,9,11,14H,7-8,10,12H2,(H,22,25)(H,23,26)(H,24,27)
InChIKeySLLUUQDLMUTZAQ-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.47
Rot. Bonds7

About N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide

N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 55828959) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID55828959
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESO=C(Cc1cccc(F)c1)NCC(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C20H20FN3O3/c21-15-4-1-3-13(9-15)10-18(25)22-12-19(26)23-16-5-2-6-17(11-16)24-20(27)14-7-8-14/h1-6,9,11,14H,7-8,10,12H2,(H,22,25)(H,23,26)(H,24,27)
InChIKeySLLUUQDLMUTZAQ-UHFFFAOYSA-N
XLogP2.47
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 38324619
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 772134
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 772128
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 38325655
N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 119308743
N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
CID 115571346
4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148115
N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 38325393
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 49335487
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 38325683
N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 113002054
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 47805198

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide (CID 55828959) is N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide is O=C(Cc1cccc(F)c1)NCC(=O)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is SLLUUQDLMUTZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-15-4-1-3-13(9-15)10-18(25)22-12-19(26)23-16-5-2-6-17(11-16)24-20(27)14-7-8-14/h1-6,9,11,14H,7-8,10,12H2,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide?
N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55828959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).