N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide;hydrochloride

C16H17BrClN3O3 — CID 119409958

IUPACN-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide;hydrochloride
SMILESCl.N[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)C1
InChIInChI=1S/C16H16BrN3O3.ClH/c17-14-6-5-13(23-14)15(21)19-12-3-1-10(2-4-12)16(22)20-8-7-11(18)9-20;/h1-6,11H,7-9,18H2,(H,19,21);1H/t11-;/m1./s1
InChIKeyQWOARNIIMRTLGH-RFVHGSKJSA-N
MW414.69 g/mol
LogP2.89
Rot. Bonds3

About N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide;hydrochloride

N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide;hydrochloride (PubChem CID 119409958) has the molecular formula C16H17BrClN3O3 and a molecular weight of 414.69 g/mol. Its IUPAC name is N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide;hydrochloride
PubChem CID119409958
Molecular FormulaC16H17BrClN3O3
Molecular Weight414.69 g/mol
Exact Mass413.01
IUPAC NameN-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide;hydrochloride
SMILESCl.N[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)C1
InChIInChI=1S/C16H16BrN3O3.ClH/c17-14-6-5-13(23-14)15(21)19-12-3-1-10(2-4-12)16(22)20-8-7-11(18)9-20;/h1-6,11H,7-9,18H2,(H,19,21);1H/t11-;/m1./s1
InChIKeyQWOARNIIMRTLGH-RFVHGSKJSA-N
XLogP2.89
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.69
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide
CID 17199012
5-bromo-N-[4-(4-morpholin-4-ium-4-ylpiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 146674490
N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119412143
5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 51299744
1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 119412031
1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119955465
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3,5-dichlorobenzamide
CID 119373556
5-bromo-N-[4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 112834519
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 119409324
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 49061820

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide;hydrochloride (CID 119409958) is N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide;hydrochloride is Cl.N[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)C1.
What is the InChIKey of N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide;hydrochloride?
The InChIKey is QWOARNIIMRTLGH-RFVHGSKJSA-N. The full InChI is InChI=1S/C16H16BrN3O3.ClH/c17-14-6-5-13(23-14)15(21)19-12-3-1-10(2-4-12)16(22)20-8-7-11(18)9-20;/h1-6,11H,7-9,18H2,(H,19,21);1H/t11-;/m1./s1.
What are the key properties of N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide;hydrochloride?
N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide;hydrochloride has a molecular weight of 414.69 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119409958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).