cis-(1R,2S)-N-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide

C24H21F4N3O3 — CID 56944914

IUPACcis-(1R,2S)-N-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide
SMILESCOCc1nc(C)ncc1OC[C@@]1(c2cc(F)cc(F)c2)C[C@H]1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C24H21F4N3O3/c1-13-29-10-22(21(30-13)11-33-2)34-12-24(14-5-15(25)7-16(26)6-14)9-18(24)23(32)31-17-3-4-19(27)20(28)8-17/h3-8,10,18H,9,11-12H2,1-2H3,(H,31,32)/t18-,24+/m0/s1
InChIKeyYXNSIVGIXLGLTH-MHECFPHRSA-N
MW475.44 g/mol
LogP4.46
Rot. Bonds8

About cis-(1R,2S)-N-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide

cis-(1R,2S)-N-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide (PubChem CID 56944914) has the molecular formula C24H21F4N3O3 and a molecular weight of 475.44 g/mol. Its IUPAC name is cis-(1R,2S)-N-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide
PubChem CID56944914
Molecular FormulaC24H21F4N3O3
Molecular Weight475.44 g/mol
Exact Mass475.15
IUPAC Namecis-(1R,2S)-N-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide
SMILESCOCc1nc(C)ncc1OC[C@@]1(c2cc(F)cc(F)c2)C[C@H]1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C24H21F4N3O3/c1-13-29-10-22(21(30-13)11-33-2)34-12-24(14-5-15(25)7-16(26)6-14)9-18(24)23(32)31-17-3-4-19(27)20(28)8-17/h3-8,10,18H,9,11-12H2,1-2H3,(H,31,32)/t18-,24+/m0/s1
InChIKeyYXNSIVGIXLGLTH-MHECFPHRSA-N
XLogP4.46
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cis-(1R,2S)-N-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide (CID 56944914) is cis-(1R,2S)-N-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide is COCc1nc(C)ncc1OC[C@@]1(c2cc(F)cc(F)c2)C[C@H]1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of cis-(1R,2S)-N-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide?
The InChIKey is YXNSIVGIXLGLTH-MHECFPHRSA-N. The full InChI is InChI=1S/C24H21F4N3O3/c1-13-29-10-22(21(30-13)11-33-2)34-12-24(14-5-15(25)7-16(26)6-14)9-18(24)23(32)31-17-3-4-19(27)20(28)8-17/h3-8,10,18H,9,11-12H2,1-2H3,(H,31,32)/t18-,24+/m0/s1.
What are the key properties of cis-(1R,2S)-N-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-N-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide has a molecular weight of 475.44 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 56944914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).