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

C14H20BrClN2O — CID 119295645

IUPACN-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(Cc1ccc(Br)cc1)NC(=O)C1CCCN1.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-10(9-11-4-6-12(15)7-5-11)17-14(18)13-3-2-8-16-13;/h4-7,10,13,16H,2-3,8-9H2,1H3,(H,17,18);1H
InChIKeyVPDDSSAHIVNDSL-UHFFFAOYSA-N
MW347.68 g/mol
LogP2.67
Rot. Bonds4

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

N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119295645) 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-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119295645
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(Cc1ccc(Br)cc1)NC(=O)C1CCCN1.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-10(9-11-4-6-12(15)7-5-11)17-14(18)13-3-2-8-16-13;/h4-7,10,13,16H,2-3,8-9H2,1H3,(H,17,18);1H
InChIKeyVPDDSSAHIVNDSL-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 119294903
N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119298778
(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide
CID 96510056
N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119341100
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119734902
N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119341127
N-[1-(4-bromophenyl)propan-2-yl]-5-cyclopropylpyrazolidine-3-carboxamide
CID 75262929
(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
CID 103809894
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 119319806
(2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 61178552
(2R)-N-[(2S)-1-aminopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 130736371

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride (CID 119295645) is N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride is CC(Cc1ccc(Br)cc1)NC(=O)C1CCCN1.Cl.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is VPDDSSAHIVNDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O.ClH/c1-10(9-11-4-6-12(15)7-5-11)17-14(18)13-3-2-8-16-13;/h4-7,10,13,16H,2-3,8-9H2,1H3,(H,17,18);1H.
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 347.68 g/mol, XLogP of 2.67, 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-2-carboxamide;hydrochloride is sourced from PubChem (CID 119295645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).