N-[1-(4-bromophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide

C14H19BrN2O2 — CID 43705008

IUPACN-[1-(4-bromophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCCC(NC(=O)C1CC(O)CN1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2/c1-2-12(9-3-5-10(15)6-4-9)17-14(19)13-7-11(18)8-16-13/h3-6,11-13,16,18H,2,7-8H2,1H3,(H,17,19)
InChIKeyMYNKKQHZBIDNST-UHFFFAOYSA-N
MW327.22 g/mol
LogP1.74
Rot. Bonds4

About N-[1-(4-bromophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide

N-[1-(4-bromophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 43705008) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID43705008
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-[1-(4-bromophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCCC(NC(=O)C1CC(O)CN1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2/c1-2-12(9-3-5-10(15)6-4-9)17-14(19)13-7-11(18)8-16-13/h3-6,11-13,16,18H,2,7-8H2,1H3,(H,17,19)
InChIKeyMYNKKQHZBIDNST-UHFFFAOYSA-N
XLogP1.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-N-[(1R)-1-(4-bromophenyl)-2-hydroxyethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 176976924
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 114010288
N-[1-(4-ethylphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43702940
(2S,4R)-N-[(4-bromophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 121231100
3-[1-(4-bromophenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550181
N-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43699119
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
2-(azetidin-3-yl)-N-[1-(4-bromophenyl)propyl]propanamide
CID 116675405
(2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 125138536
(2S)-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 175942468
4-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119813851
(3S)-3-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoic acid
CID 170156064

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide (CID 43705008) is N-[1-(4-bromophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide is CCC(NC(=O)C1CC(O)CN1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is MYNKKQHZBIDNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-2-12(9-3-5-10(15)6-4-9)17-14(19)13-7-11(18)8-16-13/h3-6,11-13,16,18H,2,7-8H2,1H3,(H,17,19).
What are the key properties of N-[1-(4-bromophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[1-(4-bromophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 43705008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).