cis-(1S,2R)-2-(2,6-difluorophenyl)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide

C18H23F2NO2 — CID 129423977

IUPACcis-(1S,2R)-2-(2,6-difluorophenyl)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide
SMILESC[C@H](CC[C@@H]1CCCO1)NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F
InChIInChI=1S/C18H23F2NO2/c1-11(7-8-12-4-3-9-23-12)21-18(22)14-10-13(14)17-15(19)5-2-6-16(17)20/h2,5-6,11-14H,3-4,7-10H2,1H3,(H,21,22)/t11-,12+,13-,14+/m1/s1
InChIKeyRKJBWLJWYPZXLQ-RQJABVFESA-N
MW323.38 g/mol
LogP3.53
Rot. Bonds6

About cis-(1S,2R)-2-(2,6-difluorophenyl)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-(2,6-difluorophenyl)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide (PubChem CID 129423977) has the molecular formula C18H23F2NO2 and a molecular weight of 323.38 g/mol. Its IUPAC name is cis-(1S,2R)-2-(2,6-difluorophenyl)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(2,6-difluorophenyl)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide
PubChem CID129423977
Molecular FormulaC18H23F2NO2
Molecular Weight323.38 g/mol
Exact Mass323.17
IUPAC Namecis-(1S,2R)-2-(2,6-difluorophenyl)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide
SMILESC[C@H](CC[C@@H]1CCCO1)NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F
InChIInChI=1S/C18H23F2NO2/c1-11(7-8-12-4-3-9-23-12)21-18(22)14-10-13(14)17-15(19)5-2-6-16(17)20/h2,5-6,11-14H,3-4,7-10H2,1H3,(H,21,22)/t11-,12+,13-,14+/m1/s1
InChIKeyRKJBWLJWYPZXLQ-RQJABVFESA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 45504920
Cyclopropanecarboxamide, 2-phenyl-N-(tetrahydrofuran-2-ylmethyl)-
CID 2931372
cis-(1S,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide
CID 129424827
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N-{[4-(4-fluorophenyl)oxan-4-yl]methyl}cyclohexanecarboxamide
CID 27450029
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CID 45195970
N-[(3S*,4R*)-4-ethoxytetrahydrofuran-3-yl]-1-(2-fluorophenyl)cyclopropanecarboxamide
CID 50949134
2-(4-fluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]cyclopropane-1-carboxamide
CID 71845965
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 71847239
1-(3-fluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(2,6-difluorophenyl)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(2,6-difluorophenyl)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide (CID 129423977) is cis-(1S,2R)-2-(2,6-difluorophenyl)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(2,6-difluorophenyl)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(2,6-difluorophenyl)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide is C[C@H](CC[C@@H]1CCCO1)NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F.
What is the InChIKey of cis-(1S,2R)-2-(2,6-difluorophenyl)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is RKJBWLJWYPZXLQ-RQJABVFESA-N. The full InChI is InChI=1S/C18H23F2NO2/c1-11(7-8-12-4-3-9-23-12)21-18(22)14-10-13(14)17-15(19)5-2-6-16(17)20/h2,5-6,11-14H,3-4,7-10H2,1H3,(H,21,22)/t11-,12+,13-,14+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(2,6-difluorophenyl)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(2,6-difluorophenyl)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 323.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(2,6-difluorophenyl)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 129423977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).