N-[(2S)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-2-(tetrazol-1-yl)benzamide

C22H23FN6O3 — CID 100735065

IUPACN-[(2S)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1ccccc1-n1cnnn1
InChIInChI=1S/C22H23FN6O3/c23-18-5-3-4-16(13-18)12-17(22(31)28-8-10-32-11-9-28)14-24-21(30)19-6-1-2-7-20(19)29-15-25-26-27-29/h1-7,13,15,17H,8-12,14H2,(H,24,30)/t17-/m0/s1
InChIKeyNIEXZBKYWHGOTB-KRWDZBQOSA-N
MW438.46 g/mol
LogP1.25
Rot. Bonds7

About N-[(2S)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-2-(tetrazol-1-yl)benzamide

N-[(2S)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 100735065) has the molecular formula C22H23FN6O3 and a molecular weight of 438.46 g/mol. Its IUPAC name is N-[(2S)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-2-(tetrazol-1-yl)benzamide
PubChem CID100735065
Molecular FormulaC22H23FN6O3
Molecular Weight438.46 g/mol
Exact Mass438.18
IUPAC NameN-[(2S)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1ccccc1-n1cnnn1
InChIInChI=1S/C22H23FN6O3/c23-18-5-3-4-16(13-18)12-17(22(31)28-8-10-32-11-9-28)14-24-21(30)19-6-1-2-7-20(19)29-15-25-26-27-29/h1-7,13,15,17H,8-12,14H2,(H,24,30)/t17-/m0/s1
InChIKeyNIEXZBKYWHGOTB-KRWDZBQOSA-N
XLogP1.25
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-5-methylfuran-2-carboxamide
CID 100733075
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(tetrazol-1-yl)benzamide
CID 51931032
N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51101650
2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one
CID 119051980
(2R)-2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one
CID 124844972
4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 52901800
N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 9208938
5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide
CID 42534608
N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 28934785
3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 110347745
methyl (2S)-2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate
CID 42580732
N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119506175

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(2S)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-2-(tetrazol-1-yl)benzamide (CID 100735065) is N-[(2S)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2S)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(2S)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-2-(tetrazol-1-yl)benzamide is O=C(NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1ccccc1-n1cnnn1.
What is the InChIKey of N-[(2S)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is NIEXZBKYWHGOTB-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23FN6O3/c23-18-5-3-4-16(13-18)12-17(22(31)28-8-10-32-11-9-28)14-24-21(30)19-6-1-2-7-20(19)29-15-25-26-27-29/h1-7,13,15,17H,8-12,14H2,(H,24,30)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-2-(tetrazol-1-yl)benzamide?
N-[(2S)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 438.46 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 100735065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).