3-(difluoromethyl)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide

C20H22F2N2O2 — CID 118929286

IUPAC3-(difluoromethyl)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide
SMILESO=C(NC[C@@H](O)CNC1Cc2ccccc2C1)c1cccc(C(F)F)c1
InChIInChI=1S/C20H22F2N2O2/c21-19(22)15-6-3-7-16(8-15)20(26)24-12-18(25)11-23-17-9-13-4-1-2-5-14(13)10-17/h1-8,17-19,23,25H,9-12H2,(H,24,26)/t18-/m0/s1
InChIKeyOPHLUWXWQHEWLE-SFHVURJKSA-N
MW360.40 g/mol
LogP2.47
Rot. Bonds7

About 3-(difluoromethyl)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide

3-(difluoromethyl)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide (PubChem CID 118929286) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide
PubChem CID118929286
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name3-(difluoromethyl)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide
SMILESO=C(NC[C@@H](O)CNC1Cc2ccccc2C1)c1cccc(C(F)F)c1
InChIInChI=1S/C20H22F2N2O2/c21-19(22)15-6-3-7-16(8-15)20(26)24-12-18(25)11-23-17-9-13-4-1-2-5-14(13)10-17/h1-8,17-19,23,25H,9-12H2,(H,24,26)/t18-/m0/s1
InChIKeyOPHLUWXWQHEWLE-SFHVURJKSA-N
XLogP2.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide (CID 118929286) is 3-(difluoromethyl)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide is O=C(NC[C@@H](O)CNC1Cc2ccccc2C1)c1cccc(C(F)F)c1.
What is the InChIKey of 3-(difluoromethyl)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide?
The InChIKey is OPHLUWXWQHEWLE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c21-19(22)15-6-3-7-16(8-15)20(26)24-12-18(25)11-23-17-9-13-4-1-2-5-14(13)10-17/h1-8,17-19,23,25H,9-12H2,(H,24,26)/t18-/m0/s1.
What are the key properties of 3-(difluoromethyl)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide?
3-(difluoromethyl)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide has a molecular weight of 360.40 g/mol, XLogP of 2.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 118929286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).