N-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C15H20BrClN2O — CID 119333019

IUPACN-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(c2ccccc2Br)CC1)C1CCCN1
InChIInChI=1S/C15H19BrN2O.ClH/c16-12-5-2-1-4-11(12)15(7-8-15)10-18-14(19)13-6-3-9-17-13;/h1-2,4-5,13,17H,3,6-10H2,(H,18,19);1H
InChIKeyLLTIYYQXPGKCEL-UHFFFAOYSA-N
MW359.70 g/mol
LogP2.77
Rot. Bonds4

About N-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119333019) has the molecular formula C15H20BrClN2O and a molecular weight of 359.70 g/mol. Its IUPAC name is N-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119333019
Molecular FormulaC15H20BrClN2O
Molecular Weight359.70 g/mol
Exact Mass358.04
IUPAC NameN-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(c2ccccc2Br)CC1)C1CCCN1
InChIInChI=1S/C15H19BrN2O.ClH/c16-12-5-2-1-4-11(12)15(7-8-15)10-18-14(19)13-6-3-9-17-13;/h1-2,4-5,13,17H,3,6-10H2,(H,18,19);1H
InChIKeyLLTIYYQXPGKCEL-UHFFFAOYSA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.70
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119315824
N-[(1-phenylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 110481276
(2S,4S)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120635447
N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119293530
N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119301103
(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide
CID 61402429
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314901
N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119323178
3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 119800146
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 119303685
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide
CID 119314892
1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea
CID 111458940

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119333019) is N-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCC1(c2ccccc2Br)CC1)C1CCCN1.
What is the InChIKey of N-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is LLTIYYQXPGKCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O.ClH/c16-12-5-2-1-4-11(12)15(7-8-15)10-18-14(19)13-6-3-9-17-13;/h1-2,4-5,13,17H,3,6-10H2,(H,18,19);1H.
What are the key properties of N-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 359.70 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119333019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).