N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride

C14H20BrClN2O — CID 119734902

IUPACN-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(Cc1ccc(Br)cc1)NC(=O)C1CCNC1.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-10(8-11-2-4-13(15)5-3-11)17-14(18)12-6-7-16-9-12;/h2-5,10,12,16H,6-9H2,1H3,(H,17,18);1H
InChIKeyLNGVTLQEFKBKHX-UHFFFAOYSA-N
MW347.68 g/mol
LogP2.53
Rot. Bonds4

About N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride

N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119734902) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119734902
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(Cc1ccc(Br)cc1)NC(=O)C1CCNC1.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-10(8-11-2-4-13(15)5-3-11)17-14(18)12-6-7-16-9-12;/h2-5,10,12,16H,6-9H2,1H3,(H,17,18);1H
InChIKeyLNGVTLQEFKBKHX-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 63010034
N-[1-(2-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119814306
N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 63006245
N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]pyrrolidine-3-carboxamide
CID 66635147
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119295645
3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119734872
2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975257
N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
N-[2-[1-(4-bromophenyl)propan-2-ylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 47288217
N-(1-thiophen-3-ylpropan-2-yl)piperidine-3-carboxamide
CID 54954195
2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54867930

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride (CID 119734902) is N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride is CC(Cc1ccc(Br)cc1)NC(=O)C1CCNC1.Cl.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is LNGVTLQEFKBKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O.ClH/c1-10(8-11-2-4-13(15)5-3-11)17-14(18)12-6-7-16-9-12;/h2-5,10,12,16H,6-9H2,1H3,(H,17,18);1H.
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride?
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 347.68 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119734902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).