1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride

C16H22BrClN2O — CID 119513259

IUPAC1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)C1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C16H21BrN2O.ClH/c17-13-6-4-12(5-7-13)16(8-2-9-16)15(20)19-11-14-3-1-10-18-14;/h4-7,14,18H,1-3,8-11H2,(H,19,20);1H
InChIKeyGTLWBXICWGVJSS-UHFFFAOYSA-N
MW373.72 g/mol
LogP3.16
Rot. Bonds4

About 1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride

1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride (PubChem CID 119513259) has the molecular formula C16H22BrClN2O and a molecular weight of 373.72 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride
PubChem CID119513259
Molecular FormulaC16H22BrClN2O
Molecular Weight373.72 g/mol
Exact Mass372.06
IUPAC Name1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)C1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C16H21BrN2O.ClH/c17-13-6-4-12(5-7-13)16(8-2-9-16)15(20)19-11-14-3-1-10-18-14;/h4-7,14,18H,1-3,8-11H2,(H,19,20);1H
InChIKeyGTLWBXICWGVJSS-UHFFFAOYSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 119514550
1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide
CID 119558146
1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 119509968
1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119514618
1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide
CID 91772427
1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide
CID 78855875
1-(4-bromophenyl)-N-[(3-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide
CID 103280163
1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119513926
N-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide
CID 62541274
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
1-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119513563
4-(4-bromophenyl)sulfinyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514095

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride (CID 119513259) is 1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride is Cl.O=C(NCC1CCCN1)C1(c2ccc(Br)cc2)CCC1.
What is the InChIKey of 1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride?
The InChIKey is GTLWBXICWGVJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O.ClH/c17-13-6-4-12(5-7-13)16(8-2-9-16)15(20)19-11-14-3-1-10-18-14;/h4-7,14,18H,1-3,8-11H2,(H,19,20);1H.
What are the key properties of 1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride?
1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride has a molecular weight of 373.72 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119513259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).