N-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide

C18H19BrN2O2 — CID 119794497

IUPACN-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(Br)cc1Oc1ccccc1)C1CCNC1
InChIInChI=1S/C18H19BrN2O2/c19-15-7-6-13(12-21-18(22)14-8-9-20-11-14)17(10-15)23-16-4-2-1-3-5-16/h1-7,10,14,20H,8-9,11-12H2,(H,21,22)
InChIKeyDHNBETIBXFOYIL-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.47
Rot. Bonds5

About N-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide

N-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 119794497) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID119794497
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(Br)cc1Oc1ccccc1)C1CCNC1
InChIInChI=1S/C18H19BrN2O2/c19-15-7-6-13(12-21-18(22)14-8-9-20-11-14)17(10-15)23-16-4-2-1-3-5-16/h1-7,10,14,20H,8-9,11-12H2,(H,21,22)
InChIKeyDHNBETIBXFOYIL-UHFFFAOYSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736957
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
(3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124741336
(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
CID 81141738
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005428
N-[(4-methyl-2-phenoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119811725
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710
2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 81317773
N-[[2-(benzenesulfonamido)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119745101

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide (CID 119794497) is N-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide is O=C(NCc1ccc(Br)cc1Oc1ccccc1)C1CCNC1.
What is the InChIKey of N-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is DHNBETIBXFOYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c19-15-7-6-13(12-21-18(22)14-8-9-20-11-14)17(10-15)23-16-4-2-1-3-5-16/h1-7,10,14,20H,8-9,11-12H2,(H,21,22).
What are the key properties of N-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide?
N-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119794497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).