4-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride

C15H24BrCl2N3O2 — CID 120596472

IUPAC4-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NC1CCN(c2ccc(Br)cc2)C1.Cl.Cl
InChIInChI=1S/C15H22BrN3O2.2ClH/c1-21-14(9-17)8-15(20)18-12-6-7-19(10-12)13-4-2-11(16)3-5-13;;/h2-5,12,14H,6-10,17H2,1H3,(H,18,20);2*1H
InChIKeyQWKCGYSFDNPYDH-UHFFFAOYSA-N
MW429.19 g/mol
LogP2.35
Rot. Bonds6

About 4-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride

4-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride (PubChem CID 120596472) has the molecular formula C15H24BrCl2N3O2 and a molecular weight of 429.19 g/mol. Its IUPAC name is 4-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride
PubChem CID120596472
Molecular FormulaC15H24BrCl2N3O2
Molecular Weight429.19 g/mol
Exact Mass427.04
IUPAC Name4-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NC1CCN(c2ccc(Br)cc2)C1.Cl.Cl
InChIInChI=1S/C15H22BrN3O2.2ClH/c1-21-14(9-17)8-15(20)18-12-6-7-19(10-12)13-4-2-11(16)3-5-13;;/h2-5,12,14H,6-10,17H2,1H3,(H,18,20);2*1H
InChIKeyQWKCGYSFDNPYDH-UHFFFAOYSA-N
XLogP2.35
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.19
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride
CID 120597456
2-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]acetamide
CID 119876264
4-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-methoxybutanamide
CID 120597461
4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide
CID 120597287
N-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide
CID 119876236
4-amino-3-methoxy-N-(1-methylpiperidin-4-yl)butanamide
CID 103154332
3-(2-aminophenyl)-N-[1-(4-bromophenyl)pyrrolidin-3-yl]propanamide
CID 120612958
4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
CID 120587685
N-[1-(4-aminophenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 21087634
4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride
CID 120588455
4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride
CID 120592963
4-amino-3-methoxy-N-(3-phenylcyclobutyl)butanamide;hydrochloride
CID 120591704

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride (CID 120596472) is 4-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride is COC(CN)CC(=O)NC1CCN(c2ccc(Br)cc2)C1.Cl.Cl.
What is the InChIKey of 4-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride?
The InChIKey is QWKCGYSFDNPYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2.2ClH/c1-21-14(9-17)8-15(20)18-12-6-7-19(10-12)13-4-2-11(16)3-5-13;;/h2-5,12,14H,6-10,17H2,1H3,(H,18,20);2*1H.
What are the key properties of 4-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride?
4-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride has a molecular weight of 429.19 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride is sourced from PubChem (CID 120596472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).