cis-(1S,2R)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide

C17H22FNO3 — CID 96570621

IUPACcis-(1S,2R)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NC[C@H](O)COCC1CC1)[C@H]1C[C@H]1c1ccccc1F
InChIInChI=1S/C17H22FNO3/c18-16-4-2-1-3-13(16)14-7-15(14)17(21)19-8-12(20)10-22-9-11-5-6-11/h1-4,11-12,14-15,20H,5-10H2,(H,19,21)/t12-,14-,15-/m0/s1
InChIKeyDDFVBOCAONBLMF-QEJZJMRPSA-N
MW307.37 g/mol
LogP1.83
Rot. Bonds8

About cis-(1S,2R)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide

cis-(1S,2R)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 96570621) has the molecular formula C17H22FNO3 and a molecular weight of 307.37 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID96570621
Molecular FormulaC17H22FNO3
Molecular Weight307.37 g/mol
Exact Mass307.16
IUPAC Namecis-(1S,2R)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NC[C@H](O)COCC1CC1)[C@H]1C[C@H]1c1ccccc1F
InChIInChI=1S/C17H22FNO3/c18-16-4-2-1-3-13(16)14-7-15(14)17(21)19-8-12(20)10-22-9-11-5-6-11/h1-4,11-12,14-15,20H,5-10H2,(H,19,21)/t12-,14-,15-/m0/s1
InChIKeyDDFVBOCAONBLMF-QEJZJMRPSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96570636
trans-(1S,2S)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 97077272
2-(2,5-difluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide
CID 111697735
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110885515
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 110911373
2-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 78831616
2-(2-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 111115585
2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide
CID 78854955
cis-(1R,2S)-N-[2-(cyclopropylmethoxy)ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 95625521
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-ethyl-2-[(2-fluorophenyl)methyl]guanidine
CID 111266329
1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea
CID 94801888
cis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 52544721

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 96570621) is cis-(1S,2R)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide is O=C(NC[C@H](O)COCC1CC1)[C@H]1C[C@H]1c1ccccc1F.
What is the InChIKey of cis-(1S,2R)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is DDFVBOCAONBLMF-QEJZJMRPSA-N. The full InChI is InChI=1S/C17H22FNO3/c18-16-4-2-1-3-13(16)14-7-15(14)17(21)19-8-12(20)10-22-9-11-5-6-11/h1-4,11-12,14-15,20H,5-10H2,(H,19,21)/t12-,14-,15-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 96570621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).