trans-(1S,2S)-2-(4-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide

C15H18ClF2NO2 — CID 96501814

IUPACtrans-(1S,2S)-2-(4-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
SMILESCOCCN(CC(F)F)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClF2NO2/c1-21-7-6-19(9-14(17)18)15(20)13-8-12(13)10-2-4-11(16)5-3-10/h2-5,12-14H,6-9H2,1H3/t12-,13+/m1/s1
InChIKeySQYPXLFNHLLUCZ-OLZOCXBDSA-N
MW317.76 g/mol
LogP3.18
Rot. Bonds7

About trans-(1S,2S)-2-(4-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-(4-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide (PubChem CID 96501814) has the molecular formula C15H18ClF2NO2 and a molecular weight of 317.76 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
PubChem CID96501814
Molecular FormulaC15H18ClF2NO2
Molecular Weight317.76 g/mol
Exact Mass317.10
IUPAC Nametrans-(1S,2S)-2-(4-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
SMILESCOCCN(CC(F)F)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClF2NO2/c1-21-7-6-19(9-14(17)18)15(20)13-8-12(13)10-2-4-11(16)5-3-10/h2-5,12-14H,6-9H2,1H3/t12-,13+/m1/s1
InChIKeySQYPXLFNHLLUCZ-OLZOCXBDSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.76
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2S)-2-(4-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

(3S,4R)-4-(4-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 138004451
2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
CID 111695134
2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189714
trans-(1R,2R)-2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 45026975
2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane
CID 142901928
2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
CID 71864033
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
CID 1475633
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
2-[2-methoxyethyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid
CID 119188956
trans-(1R,2R)-2-(4-tert-butylphenyl)-N,N-bis(2-methylpropyl)cyclopropane-1-carboxamide
CID 1237614
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 88976035

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(4-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide (CID 96501814) is trans-(1S,2S)-2-(4-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(4-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(4-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide is COCCN(CC(F)F)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of trans-(1S,2S)-2-(4-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide?
The InChIKey is SQYPXLFNHLLUCZ-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H18ClF2NO2/c1-21-7-6-19(9-14(17)18)15(20)13-8-12(13)10-2-4-11(16)5-3-10/h2-5,12-14H,6-9H2,1H3/t12-,13+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(4-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(4-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide has a molecular weight of 317.76 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 96501814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).