3-[(3-fluorophenoxy)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide

C19H21FN2O3 — CID 120943608

IUPAC3-[(3-fluorophenoxy)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CNCC1O)c1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C19H21FN2O3/c20-16-5-2-6-17(8-16)25-12-13-3-1-4-14(7-13)19(24)22-10-15-9-21-11-18(15)23/h1-8,15,18,21,23H,9-12H2,(H,22,24)
InChIKeyVAXJRNZDLRBQAK-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.71
Rot. Bonds6

About 3-[(3-fluorophenoxy)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide

3-[(3-fluorophenoxy)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide (PubChem CID 120943608) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-[(3-fluorophenoxy)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(3-fluorophenoxy)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
PubChem CID120943608
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name3-[(3-fluorophenoxy)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CNCC1O)c1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C19H21FN2O3/c20-16-5-2-6-17(8-16)25-12-13-3-1-4-14(7-13)19(24)22-10-15-9-21-11-18(15)23/h1-8,15,18,21,23H,9-12H2,(H,22,24)
InChIKeyVAXJRNZDLRBQAK-UHFFFAOYSA-N
XLogP1.71
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120945188
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 120948505
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide
CID 120948701
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 120946250
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 120946723
3-[(3-fluorophenoxy)methyl]-N-[2-(methylamino)propyl]benzamide
CID 120832621
[3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401906
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 120946987
N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide
CID 96547643
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride
CID 120944009

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenoxy)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 3-[(3-fluorophenoxy)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide (CID 120943608) is 3-[(3-fluorophenoxy)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-[(3-fluorophenoxy)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 3-[(3-fluorophenoxy)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide is O=C(NCC1CNCC1O)c1cccc(COc2cccc(F)c2)c1.
What is the InChIKey of 3-[(3-fluorophenoxy)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The InChIKey is VAXJRNZDLRBQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-16-5-2-6-17(8-16)25-12-13-3-1-4-14(7-13)19(24)22-10-15-9-21-11-18(15)23/h1-8,15,18,21,23H,9-12H2,(H,22,24).
What are the key properties of 3-[(3-fluorophenoxy)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
3-[(3-fluorophenoxy)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide has a molecular weight of 344.39 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenoxy)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 120943608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).