cis-(1S,2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide

C16H15F4N3O — CID 97213304

IUPACcis-(1S,2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1nccn1C(F)F)[C@H]1C[C@H]1c1ccc(F)cc1F
InChIInChI=1S/C16H15F4N3O/c17-9-1-2-10(13(18)7-9)11-8-12(11)15(24)22-4-3-14-21-5-6-23(14)16(19)20/h1-2,5-7,11-12,16H,3-4,8H2,(H,22,24)/t11-,12-/m0/s1
InChIKeyTXTQWYQJCLRERF-RYUDHWBXSA-N
MW341.31 g/mol
LogP3.02
Rot. Bonds6

About cis-(1S,2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide

cis-(1S,2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide (PubChem CID 97213304) has the molecular formula C16H15F4N3O and a molecular weight of 341.31 g/mol. Its IUPAC name is cis-(1S,2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
PubChem CID97213304
Molecular FormulaC16H15F4N3O
Molecular Weight341.31 g/mol
Exact Mass341.12
IUPAC Namecis-(1S,2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1nccn1C(F)F)[C@H]1C[C@H]1c1ccc(F)cc1F
InChIInChI=1S/C16H15F4N3O/c17-9-1-2-10(13(18)7-9)11-8-12(11)15(24)22-4-3-14-21-5-6-23(14)16(19)20/h1-2,5-7,11-12,16H,3-4,8H2,(H,22,24)/t11-,12-/m0/s1
InChIKeyTXTQWYQJCLRERF-RYUDHWBXSA-N
XLogP3.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 124700868
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cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 97076812
2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide
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cis-(1R,2S)-N-[2-(cyclopropylmethoxy)ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 95625521
cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[3-(methanesulfonamido)propyl]cyclopropane-1-carboxamide
CID 96533325
2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide
CID 119557840
2-chloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-fluoroacetamide
CID 166428060
cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropane-1-carboxamide
CID 98848072
2-(2,4-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119536420
2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 119462854
3-(4-chlorophenyl)sulfanyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]propanamide
CID 51134602

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide (CID 97213304) is cis-(1S,2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide is O=C(NCCc1nccn1C(F)F)[C@H]1C[C@H]1c1ccc(F)cc1F.
What is the InChIKey of cis-(1S,2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is TXTQWYQJCLRERF-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H15F4N3O/c17-9-1-2-10(13(18)7-9)11-8-12(11)15(24)22-4-3-14-21-5-6-23(14)16(19)20/h1-2,5-7,11-12,16H,3-4,8H2,(H,22,24)/t11-,12-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 341.31 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97213304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).