2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide

C17H23F2NO2 — CID 21366268

IUPAC2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(CC1CC1C)OCc1cc(F)cc(F)c1
InChIInChI=1S/C17H23F2NO2/c1-10(2)20-17(21)16(7-13-4-11(13)3)22-9-12-5-14(18)8-15(19)6-12/h5-6,8,10-11,13,16H,4,7,9H2,1-3H3,(H,20,21)
InChIKeyYGVRGPBMTIDNBL-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.42
Rot. Bonds7

About 2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide

2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide (PubChem CID 21366268) has the molecular formula C17H23F2NO2 and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide
PubChem CID21366268
Molecular FormulaC17H23F2NO2
Molecular Weight311.37 g/mol
Exact Mass311.17
IUPAC Name2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(CC1CC1C)OCc1cc(F)cc(F)c1
InChIInChI=1S/C17H23F2NO2/c1-10(2)20-17(21)16(7-13-4-11(13)3)22-9-12-5-14(18)8-15(19)6-12/h5-6,8,10-11,13,16H,4,7,9H2,1-3H3,(H,20,21)
InChIKeyYGVRGPBMTIDNBL-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(Cyclopropylamino)-2-oxoethyl] 3-fluorobenzoate
CID 2100132
[2-(Cyclopropylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2334847
[2-(Cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate
CID 3230480
[2-(Cyclohexylamino)-1-(3-fluorophenyl)-2-oxoethyl] acetate
CID 3230481
N-cyclooctyl-2-methoxy-2-phenylacetamide
CID 2921709
[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-phenylmethoxypropanoyl]amino]butyl]boronic acid
CID 145963178
[2-(Cyclopropylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627931
[2-(Cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate
CID 3230486
[1-[2-(Cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2,6-difluorobenzoate
CID 3976873
N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 3452814
N-[(2S)-1-(4-acetamidobutylamino)-4-methyl-1-oxopentan-2-yl]-3-phenyloxirane-2-carboxamide
CID 89737541
Acetic acid cyclohexylcarbamoyl-phenyl-methyl ester
CID 646446

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide (CID 21366268) is 2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(CC1CC1C)OCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide?
The InChIKey is YGVRGPBMTIDNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO2/c1-10(2)20-17(21)16(7-13-4-11(13)3)22-9-12-5-14(18)8-15(19)6-12/h5-6,8,10-11,13,16H,4,7,9H2,1-3H3,(H,20,21).
What are the key properties of 2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide?
2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide has a molecular weight of 311.37 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 21366268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).