3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide

C14H19BrN2O2 — CID 120948869

IUPAC3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
SMILESO=C(CCc1ccc(Br)cc1)NCC1CNCC1O
InChIInChI=1S/C14H19BrN2O2/c15-12-4-1-10(2-5-12)3-6-14(19)17-8-11-7-16-9-13(11)18/h1-2,4-5,11,13,16,18H,3,6-9H2,(H,17,19)
InChIKeyFVZRVGJSNCRZSR-UHFFFAOYSA-N
MW327.22 g/mol
LogP1.08
Rot. Bonds5

About 3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide

3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide (PubChem CID 120948869) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
PubChem CID120948869
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
SMILESO=C(CCc1ccc(Br)cc1)NCC1CNCC1O
InChIInChI=1S/C14H19BrN2O2/c15-12-4-1-10(2-5-12)3-6-14(19)17-8-11-7-16-9-13(11)18/h1-2,4-5,11,13,16,18H,3,6-9H2,(H,17,19)
InChIKeyFVZRVGJSNCRZSR-UHFFFAOYSA-N
XLogP1.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120946343
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 120944783
3-(3-fluoro-4-methoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120943968
3-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120948373
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120946157
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 120944089
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
CID 120948573
3-(1-benzofuran-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120944376
3-(1H-benzimidazol-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120943172
4-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxobutanamide
CID 120945324
2-(4-bromophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide
CID 120948255

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide (CID 120948869) is 3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide is O=C(CCc1ccc(Br)cc1)NCC1CNCC1O.
What is the InChIKey of 3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
The InChIKey is FVZRVGJSNCRZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-12-4-1-10(2-5-12)3-6-14(19)17-8-11-7-16-9-13(11)18/h1-2,4-5,11,13,16,18H,3,6-9H2,(H,17,19).
What are the key properties of 3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide has a molecular weight of 327.22 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 120948869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).