N-[2-(2-bromophenoxy)propyl]pyrrolidine-3-carboxamide

C14H19BrN2O2 — CID 119804722

IUPACN-[2-(2-bromophenoxy)propyl]pyrrolidine-3-carboxamide
SMILESCC(CNC(=O)C1CCNC1)Oc1ccccc1Br
InChIInChI=1S/C14H19BrN2O2/c1-10(19-13-5-3-2-4-12(13)15)8-17-14(18)11-6-7-16-9-11/h2-5,10-11,16H,6-9H2,1H3,(H,17,18)
InChIKeyUCKZSUMUQYZXNP-UHFFFAOYSA-N
MW327.22 g/mol
LogP1.94
Rot. Bonds5

About N-[2-(2-bromophenoxy)propyl]pyrrolidine-3-carboxamide

N-[2-(2-bromophenoxy)propyl]pyrrolidine-3-carboxamide (PubChem CID 119804722) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[2-(2-bromophenoxy)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromophenoxy)propyl]pyrrolidine-3-carboxamide
PubChem CID119804722
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-[2-(2-bromophenoxy)propyl]pyrrolidine-3-carboxamide
SMILESCC(CNC(=O)C1CCNC1)Oc1ccccc1Br
InChIInChI=1S/C14H19BrN2O2/c1-10(19-13-5-3-2-4-12(13)15)8-17-14(18)11-6-7-16-9-11/h2-5,10-11,16H,6-9H2,1H3,(H,17,18)
InChIKeyUCKZSUMUQYZXNP-UHFFFAOYSA-N
XLogP1.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119804506
3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119804683
N-(2-methoxypropyl)pyrrolidine-3-carboxamide
CID 102694813
N-[2-(3-chlorophenoxy)propyl]piperidine-3-carboxamide;hydrochloride
CID 119336993
N-[1-(2-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119814306
N-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide
CID 119750683
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119830716
3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride
CID 119804713
2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795023
N-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide
CID 65036211
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 119293173

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenoxy)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2-bromophenoxy)propyl]pyrrolidine-3-carboxamide (CID 119804722) is N-[2-(2-bromophenoxy)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-bromophenoxy)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2-bromophenoxy)propyl]pyrrolidine-3-carboxamide is CC(CNC(=O)C1CCNC1)Oc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenoxy)propyl]pyrrolidine-3-carboxamide?
The InChIKey is UCKZSUMUQYZXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10(19-13-5-3-2-4-12(13)15)8-17-14(18)11-6-7-16-9-11/h2-5,10-11,16H,6-9H2,1H3,(H,17,18).
What are the key properties of N-[2-(2-bromophenoxy)propyl]pyrrolidine-3-carboxamide?
N-[2-(2-bromophenoxy)propyl]pyrrolidine-3-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenoxy)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119804722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).