N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

C17H22FNO3 — CID 111662870

IUPACN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(O)COCC1CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FNO3/c18-14-5-3-13(4-6-14)17(7-8-17)16(21)19-9-15(20)11-22-10-12-1-2-12/h3-6,12,15,20H,1-2,7-11H2,(H,19,21)
InChIKeyQTOUACUESSGLFF-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.76
Rot. Bonds8

About N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 111662870) has the molecular formula C17H22FNO3 and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID111662870
Molecular FormulaC17H22FNO3
Molecular Weight307.37 g/mol
Exact Mass307.16
IUPAC NameN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(O)COCC1CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FNO3/c18-14-5-3-13(4-6-14)17(7-8-17)16(21)19-9-15(20)11-22-10-12-1-2-12/h3-6,12,15,20H,1-2,7-11H2,(H,19,21)
InChIKeyQTOUACUESSGLFF-UHFFFAOYSA-N
XLogP1.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea
CID 94801888
1-(3-chlorophenyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]cyclobutane-1-carboxamide
CID 111791815
cis-(1R,2S)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96570636
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide
CID 111662697
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide
CID 111697870
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide
CID 111662905
3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid
CID 106107057
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 110437937
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 119514550
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 111697850
3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide
CID 111662976

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 111662870) is N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is O=C(NCC(O)COCC1CC1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is QTOUACUESSGLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c18-14-5-3-13(4-6-14)17(7-8-17)16(21)19-9-15(20)11-22-10-12-1-2-12/h3-6,12,15,20H,1-2,7-11H2,(H,19,21).
What are the key properties of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 111662870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).