2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide

C15H19BrN2O — CID 79719350

IUPAC2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccc(Br)cc1N)C1CCCC1
InChIInChI=1S/C15H19BrN2O/c1-2-9-18(12-5-3-4-6-12)15(19)13-8-7-11(16)10-14(13)17/h2,7-8,10,12H,1,3-6,9,17H2
InChIKeyZUAQWJJUFPNMJX-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.60
Rot. Bonds4

About 2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide

2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide (PubChem CID 79719350) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide
PubChem CID79719350
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccc(Br)cc1N)C1CCCC1
InChIInChI=1S/C15H19BrN2O/c1-2-9-18(12-5-3-4-6-12)15(19)13-8-7-11(16)10-14(13)17/h2,7-8,10,12H,1,3-6,9,17H2
InChIKeyZUAQWJJUFPNMJX-UHFFFAOYSA-N
XLogP3.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide
CID 79723311
2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide
CID 103621937
2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
CID 61108767
2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
CID 103853497
2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 79720140
2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
CID 79714357
5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide
CID 61062387
(2-amino-4-bromophenyl)-cyclopentylmethanone
CID 116591688
2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102864994
2-amino-4-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide
CID 79704107
2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide
CID 106854213
4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide
CID 102872665

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide?
The IUPAC name of 2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide (CID 79719350) is 2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide?
The canonical SMILES for 2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide is C=CCN(C(=O)c1ccc(Br)cc1N)C1CCCC1.
What is the InChIKey of 2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide?
The InChIKey is ZUAQWJJUFPNMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-2-9-18(12-5-3-4-6-12)15(19)13-8-7-11(16)10-14(13)17/h2,7-8,10,12H,1,3-6,9,17H2.
What are the key properties of 2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide?
2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide has a molecular weight of 323.23 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 79719350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).