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

C16H19F2NO2 — CID 95625521

IUPACcis-(1R,2S)-N-[2-(cyclopropylmethoxy)ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCCOCC1CC1)[C@@H]1C[C@@H]1c1ccc(F)cc1F
InChIInChI=1S/C16H19F2NO2/c17-11-3-4-12(15(18)7-11)13-8-14(13)16(20)19-5-6-21-9-10-1-2-10/h3-4,7,10,13-14H,1-2,5-6,8-9H2,(H,19,20)/t13-,14-/m1/s1
InChIKeyVHKQPZANFLKBQB-ZIAGYGMSSA-N
MW295.33 g/mol
LogP2.61
Rot. Bonds7

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

cis-(1R,2S)-N-[2-(cyclopropylmethoxy)ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide (PubChem CID 95625521) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is cis-(1R,2S)-N-[2-(cyclopropylmethoxy)ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[2-(cyclopropylmethoxy)ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
PubChem CID95625521
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Namecis-(1R,2S)-N-[2-(cyclopropylmethoxy)ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCCOCC1CC1)[C@@H]1C[C@@H]1c1ccc(F)cc1F
InChIInChI=1S/C16H19F2NO2/c17-11-3-4-12(15(18)7-11)13-8-14(13)16(20)19-5-6-21-9-10-1-2-10/h3-4,7,10,13-14H,1-2,5-6,8-9H2,(H,19,20)/t13-,14-/m1/s1
InChIKeyVHKQPZANFLKBQB-ZIAGYGMSSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 97076812
4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 124700868
2-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119432498
2-(2,4-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119536420
2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide
CID 119557840
cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[3-(methanesulfonamido)propyl]cyclopropane-1-carboxamide
CID 96533325
2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide
CID 111433991
2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 119462854
2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119462853
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 97076783
2-(2,4-difluorophenyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 86945405
3-[[(1S,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704684

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[2-(cyclopropylmethoxy)ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[2-(cyclopropylmethoxy)ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide (CID 95625521) is cis-(1R,2S)-N-[2-(cyclopropylmethoxy)ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[2-(cyclopropylmethoxy)ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[2-(cyclopropylmethoxy)ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide is O=C(NCCOCC1CC1)[C@@H]1C[C@@H]1c1ccc(F)cc1F.
What is the InChIKey of cis-(1R,2S)-N-[2-(cyclopropylmethoxy)ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is VHKQPZANFLKBQB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H19F2NO2/c17-11-3-4-12(15(18)7-11)13-8-14(13)16(20)19-5-6-21-9-10-1-2-10/h3-4,7,10,13-14H,1-2,5-6,8-9H2,(H,19,20)/t13-,14-/m1/s1.
What are the key properties of cis-(1R,2S)-N-[2-(cyclopropylmethoxy)ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-N-[2-(cyclopropylmethoxy)ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 295.33 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[2-(cyclopropylmethoxy)ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95625521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).