3-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide

C16H22BrN3O — CID 119876240

IUPAC3-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NC2CCN(c3ccc(Br)cc3)C2)C1
InChIInChI=1S/C16H22BrN3O/c17-12-2-5-15(6-3-12)20-8-7-14(10-20)19-16(21)11-1-4-13(18)9-11/h2-3,5-6,11,13-14H,1,4,7-10,18H2,(H,19,21)
InChIKeyUXPAPOSICIOZIM-UHFFFAOYSA-N
MW352.28 g/mol
LogP2.27
Rot. Bonds3

About 3-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide

3-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide (PubChem CID 119876240) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 3-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
PubChem CID119876240
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name3-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NC2CCN(c3ccc(Br)cc3)C2)C1
InChIInChI=1S/C16H22BrN3O/c17-12-2-5-15(6-3-12)20-8-7-14(10-20)19-16(21)11-1-4-13(18)9-11/h2-3,5-6,11,13-14H,1,4,7-10,18H2,(H,19,21)
InChIKeyUXPAPOSICIOZIM-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 124700001
2-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]acetamide
CID 119876264
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119895345
3-amino-N-(1-methylpyrrolidin-3-yl)cyclopentane-1-carboxamide
CID 66007963
3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119899510
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119884210
3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide
CID 119899423
(3R)-1-(4-bromophenyl)pyrrolidin-3-amine
CID 51663652
(3S)-1-(4-bromophenyl)pyrrolidin-3-amine
CID 51663654
1-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-cyclobutyl-2-methylguanidine
CID 119153985
3-(2-aminophenyl)-N-[1-(4-bromophenyl)pyrrolidin-3-yl]propanamide
CID 120612958
N-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide
CID 119876236

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide (CID 119876240) is 3-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide is NC1CCC(C(=O)NC2CCN(c3ccc(Br)cc3)C2)C1.
What is the InChIKey of 3-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
The InChIKey is UXPAPOSICIOZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c17-12-2-5-15(6-3-12)20-8-7-14(10-20)19-16(21)11-1-4-13(18)9-11/h2-3,5-6,11,13-14H,1,4,7-10,18H2,(H,19,21).
What are the key properties of 3-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
3-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide has a molecular weight of 352.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119876240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).