cis-(1R,2S)-N-[3-[(2,6-difluorophenyl)methyl-ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C17H22F2N2O2 — CID 95279796

IUPACcis-(1R,2S)-N-[3-[(2,6-difluorophenyl)methyl-ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCCN(Cc1c(F)cccc1F)C(=O)CCNC(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C17H22F2N2O2/c1-3-21(10-13-14(18)5-4-6-15(13)19)16(22)7-8-20-17(23)12-9-11(12)2/h4-6,11-12H,3,7-10H2,1-2H3,(H,20,23)/t11-,12+/m0/s1
InChIKeyNTYMLFLJZUHKCZ-NWDGAFQWSA-N
MW324.37 g/mol
LogP2.48
Rot. Bonds7

About cis-(1R,2S)-N-[3-[(2,6-difluorophenyl)methyl-ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[3-[(2,6-difluorophenyl)methyl-ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 95279796) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is cis-(1R,2S)-N-[3-[(2,6-difluorophenyl)methyl-ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[3-[(2,6-difluorophenyl)methyl-ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID95279796
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Namecis-(1R,2S)-N-[3-[(2,6-difluorophenyl)methyl-ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCCN(Cc1c(F)cccc1F)C(=O)CCNC(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C17H22F2N2O2/c1-3-21(10-13-14(18)5-4-6-15(13)19)16(22)7-8-20-17(23)12-9-11(12)2/h4-6,11-12H,3,7-10H2,1-2H3,(H,20,23)/t11-,12+/m0/s1
InChIKeyNTYMLFLJZUHKCZ-NWDGAFQWSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2S)-N-[3-[(2,6-difluorophenyl)methyl-ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1S,2S)-N-[3-[(2-hydroxyphenyl)methyl-propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95294520
cis-(1R,2S)-N-[3-[(2-hydroxyphenyl)methyl-propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95294519
4-amino-N-[(2,6-difluorophenyl)methyl]-N-ethylpentanamide;hydrochloride
CID 120562001
N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119767630
N-[3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 51103810
trans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95596952
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide
CID 66567844
trans-(1R,2R)-N-[3-[(3-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39910906
cis-(1R,2S)-N-[3-[(3-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39910904
N-[2-(diethylamino)-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 47027648
N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide
CID 119767629
N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 112548158

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[3-[(2,6-difluorophenyl)methyl-ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[3-[(2,6-difluorophenyl)methyl-ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 95279796) is cis-(1R,2S)-N-[3-[(2,6-difluorophenyl)methyl-ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[3-[(2,6-difluorophenyl)methyl-ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[3-[(2,6-difluorophenyl)methyl-ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is CCN(Cc1c(F)cccc1F)C(=O)CCNC(=O)[C@@H]1C[C@@H]1C.
What is the InChIKey of cis-(1R,2S)-N-[3-[(2,6-difluorophenyl)methyl-ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is NTYMLFLJZUHKCZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c1-3-21(10-13-14(18)5-4-6-15(13)19)16(22)7-8-20-17(23)12-9-11(12)2/h4-6,11-12H,3,7-10H2,1-2H3,(H,20,23)/t11-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[3-[(2,6-difluorophenyl)methyl-ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[3-[(2,6-difluorophenyl)methyl-ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 324.37 g/mol, XLogP of 2.48, 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-[3-[(2,6-difluorophenyl)methyl-ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 95279796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).