4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

C15H19BrCl2N2 — CID 107787547

IUPAC4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESClc1c(Br)ccc(NC2CCCC2C2CCCN2)c1Cl
InChIInChI=1S/C15H19BrCl2N2/c16-10-6-7-13(15(18)14(10)17)20-12-4-1-3-9(12)11-5-2-8-19-11/h6-7,9,11-12,19-20H,1-5,8H2
InChIKeyAMJXRWMODNUBSQ-UHFFFAOYSA-N
MW378.14 g/mol
LogP5.09
Rot. Bonds3

About 4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (PubChem CID 107787547) has the molecular formula C15H19BrCl2N2 and a molecular weight of 378.14 g/mol. Its IUPAC name is 4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.

Molecular Properties

Compound Name4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
PubChem CID107787547
Molecular FormulaC15H19BrCl2N2
Molecular Weight378.14 g/mol
Exact Mass376.01
IUPAC Name4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESClc1c(Br)ccc(NC2CCCC2C2CCCN2)c1Cl
InChIInChI=1S/C15H19BrCl2N2/c16-10-6-7-13(15(18)14(10)17)20-12-4-1-3-9(12)11-5-2-8-19-11/h6-7,9,11-12,19-20H,1-5,8H2
InChIKeyAMJXRWMODNUBSQ-UHFFFAOYSA-N
XLogP5.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.14
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107619264
2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 103478265
2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79540376
4-chloro-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79549651
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79544499
3-bromo-5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79536377
4-bromo-2,6-dichloro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79539499
2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107597064
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546354
4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107609439
2,6-dibromo-4-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543746
4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79539388

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The IUPAC name of 4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (CID 107787547) is 4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.
What is the SMILES notation for 4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The canonical SMILES for 4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is Clc1c(Br)ccc(NC2CCCC2C2CCCN2)c1Cl.
What is the InChIKey of 4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The InChIKey is AMJXRWMODNUBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrCl2N2/c16-10-6-7-13(15(18)14(10)17)20-12-4-1-3-9(12)11-5-2-8-19-11/h6-7,9,11-12,19-20H,1-5,8H2.
What are the key properties of 4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline has a molecular weight of 378.14 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dichloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is sourced from PubChem (CID 107787547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).