N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide

C18H16ClFN2O3 — CID 134002141

IUPACN-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESO=C(COc1ccc(F)c(Cl)c1)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H16ClFN2O3/c19-15-9-14(7-8-16(15)20)25-10-17(23)21-12-3-5-13(6-4-12)22-18(24)11-1-2-11/h3-9,11H,1-2,10H2,(H,21,23)(H,22,24)
InChIKeyQGLIEVBSVCUKEP-UHFFFAOYSA-N
MW362.79 g/mol
LogP3.85
Rot. Bonds6

About N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide

N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 134002141) has the molecular formula C18H16ClFN2O3 and a molecular weight of 362.79 g/mol. Its IUPAC name is N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID134002141
Molecular FormulaC18H16ClFN2O3
Molecular Weight362.79 g/mol
Exact Mass362.08
IUPAC NameN-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESO=C(COc1ccc(F)c(Cl)c1)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H16ClFN2O3/c19-15-9-14(7-8-16(15)20)25-10-17(23)21-12-3-5-13(6-4-12)22-18(24)11-1-2-11/h3-9,11H,1-2,10H2,(H,21,23)(H,22,24)
InChIKeyQGLIEVBSVCUKEP-UHFFFAOYSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide
CID 8579924
4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide
CID 2559686
2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 112778728
N-[4-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 34431383
2-(3-chloro-4-fluorophenoxy)-N-(3-cyclopentyloxy-4-methoxyphenyl)acetamide
CID 31873416
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
2-(3-chloro-4-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7751222
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 121062397
N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide
CID 2215496
2-(3-chloro-4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
CID 112832862
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide (CID 134002141) is N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide is O=C(COc1ccc(F)c(Cl)c1)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is QGLIEVBSVCUKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O3/c19-15-9-14(7-8-16(15)20)25-10-17(23)21-12-3-5-13(6-4-12)22-18(24)11-1-2-11/h3-9,11H,1-2,10H2,(H,21,23)(H,22,24).
What are the key properties of N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide?
N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 362.79 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 134002141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).