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

C20H22F2N2O3 — CID 118929130

IUPAC3-(difluoromethoxy)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide
SMILESO=C(NC[C@@H](O)CNC1Cc2ccccc2C1)c1cccc(OC(F)F)c1
InChIInChI=1S/C20H22F2N2O3/c21-20(22)27-18-7-3-6-15(10-18)19(26)24-12-17(25)11-23-16-8-13-4-1-2-5-14(13)9-16/h1-7,10,16-17,20,23,25H,8-9,11-12H2,(H,24,26)/t17-/m0/s1
InChIKeyHQKSBVDFOXNTMJ-KRWDZBQOSA-N
MW376.40 g/mol
LogP2.14
Rot. Bonds8

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

3-(difluoromethoxy)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide (PubChem CID 118929130) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide
PubChem CID118929130
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name3-(difluoromethoxy)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide
SMILESO=C(NC[C@@H](O)CNC1Cc2ccccc2C1)c1cccc(OC(F)F)c1
InChIInChI=1S/C20H22F2N2O3/c21-20(22)27-18-7-3-6-15(10-18)19(26)24-12-17(25)11-23-16-8-13-4-1-2-5-14(13)9-16/h1-7,10,16-17,20,23,25H,8-9,11-12H2,(H,24,26)/t17-/m0/s1
InChIKeyHQKSBVDFOXNTMJ-KRWDZBQOSA-N
XLogP2.14
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide
CID 66175780
4-[[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid
CID 118918265
4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid
CID 118918219
N-(3,3-difluoro-2-hydroxypropyl)-3-(difluoromethoxy)benzamide
CID 103769717
N-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide
CID 43596336
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
CID 60653229
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-(1,1-dioxothiane-4-carbonyl)benzamide
CID 146047503
2-acetyl-N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 118929084
N-(4-bromo-2-methylbutyl)-3-(difluoromethoxy)benzamide
CID 114316820
3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120652569
3-[[4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]-2-pyridinyl]amino]azetidine-1-carboxylic acid
CID 118918283

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide (CID 118929130) is 3-(difluoromethoxy)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide is O=C(NC[C@@H](O)CNC1Cc2ccccc2C1)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide?
The InChIKey is HQKSBVDFOXNTMJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c21-20(22)27-18-7-3-6-15(10-18)19(26)24-12-17(25)11-23-16-8-13-4-1-2-5-14(13)9-16/h1-7,10,16-17,20,23,25H,8-9,11-12H2,(H,24,26)/t17-/m0/s1.
What are the key properties of 3-(difluoromethoxy)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide?
3-(difluoromethoxy)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide has a molecular weight of 376.40 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 118929130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).